SCHEMBL804619

SCHEMBL804619

CC(C)(C)c1cc(F)c(O)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.52
GABRB2 P47870 1/20 0.52
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 7/20 0.41
ALOX15 P16050 4/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 3/20 0.40
TYR P14679 2/20 0.40
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
RECQL P46063 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23079300 0.90 ALDH1A1 (0.48) GABRA1GABRB2CYP2C19CYP1A2HIF1A
SCHEMBL26607076 0.88 GABRA1 (0.46) GABRA1GABRB2CYP2C19CYP1A2HIF1A
SCHEMBL544725 0.84 ALOX15 (0.52) GABRA1GABRB2CYP2C19HIF1AALDH1A1
SCHEMBL4463634 0.84 ALOX15 (0.36) GABRA1GABRB2CYP2C19HIF1AALDH1A1
SCHEMBL13176669 0.80 ALOX15 (0.33) GABRA1GABRB2CYP2C19HIF1AALDH1A1
SCHEMBL24197756 0.80 IDH1 (0.38) GABRA1GABRB2CYP2C19HIF1AALDH1A1
SCHEMBL31152503 0.80 ERN1 (0.58) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL31152505 0.80 ERN1 (0.58) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL18176659 0.78 ALDH1A1 (0.46) GABRA1GABRB2CYP2C19CYP1A2HIF1A
SCHEMBL7847209 0.78 GABRA1 (0.43) GABRA1GABRB2CYP2C19ALDH1A1ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-18 US disclosed
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-20230226214-A1 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-07-20 US disclosed
US-20230226214-A1 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION LYCIA THERAPEUTICS, INC. 2023-07-20 US disclosed
US-11673876-B2 Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors MEKANISTIC THERAPEUTICS LLC (US) 2023-06-13 US disclosed
US-11673876-B2 Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors MEKANISTIC THERAPEUTICS LLC (US) 2023-06-13 US disclosed
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2023-05-25 US disclosed
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2023-05-25 US disclosed
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-05-09 US disclosed
US-20120071412-A1 METHODS OF USING MACROCYCLIC AGONISTS OF THE GHRELIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL MOTILITY DISORDERS FRASER GRAEME L (BE) 2012-03-22 US disclosed
US-8088733-B2 Methods of using macrocyclic agonists of the ghrelin receptor for treatment of gastrointestinal motility disorders TRANZYME PHARMA INC. (CA) 2012-01-03 US disclosed
US-8088733-B2 Methods of using macrocyclic agonists of the ghrelin receptor for treatment of gastrointestinal motility disorders TRANZYME PHARMA INC. (CA) 2012-01-03 US disclosed
US-20100292273-A1 Cannabinoid Receptor Modulators 7TM PHARMA A/S (DK) 2010-11-18 US disclosed
US-20100093720-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) 2010-04-15 US disclosed
US-20100093720-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) 2010-04-15 US disclosed
US-20080287371-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR MODULATION OF THE MIGRATING MOTOR COMPLEX TRANZYME PHARMA INC. 2008-11-20 US disclosed
US-20080287371-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR MODULATION OF THE MIGRATING MOTOR COMPLEX TRANZYME PHARMA INC. 2008-11-20 US disclosed
US-20080051383-A1 METHODS OF USING MACROCYCLIC AGONISTS OF THE GHRELIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL MOTILITY DISORDERS TRANZYME PHARMA INC. 2008-02-28 US disclosed
WO-2007120012-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2007-10-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 GABRA1 309/4885GABRB2 634/4885CYP2C19 1670/4885
US-20080051383-A1 METHODS OF USING MACROCYCLIC AGONISTS OF THE GHRELIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL MOTILITY DISORDERS GHSR, GIPR, GHRHR GABRA1 205/4885GABRB2 348/4885CYP2C19 1211/4885
US-20100292273-A1 Cannabinoid Receptor Modulators CNR1, CNR2, CBR1 GABRA1 164/4885GABRB2 385/4885CYP2C19 194/4885
US-20100093720-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS MLNR, GIPR, GPR39 GABRA1 2311/4885GABRB2 1972/4885CYP2C19 898/4885
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS EGFR, ERBB2, ERBB3 GABRA1 2573/4885GABRB2 2066/4885CYP2C19 1701/4885
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 GABRA1 309/4885GABRB2 634/4885CYP2C19 1670/4885
US-11673876-B2 Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors EGFR, ERBB2, ERBB3 GABRA1 2573/4885GABRB2 2066/4885CYP2C19 1701/4885
US-20230226214-A1 BIFUNCTIONAL BRIDGING COMPOSITIONS FOR VIRAL TRANSDUCTION HAVCR2, FCGR3B, FCGR2A GABRA1 2022/4885GABRB2 2238/4885CYP2C19 4862/4885
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 GABRA1 309/4885GABRB2 634/4885CYP2C19 1670/4885
US-20080287371-A1 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR MODULATION OF THE MIGRATING MOTOR COMPLEX MLNR, CCKAR, CCKBR GABRA1 1787/4885GABRB2 1474/4885CYP2C19 474/4885
US-20120071412-A1 METHODS OF USING MACROCYCLIC AGONISTS OF THE GHRELIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL MOTILITY DISORDERS GHSR, GIPR, GHRHR GABRA1 205/4885GABRB2 348/4885CYP2C19 1211/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.