SCHEMBL6044777

SCHEMBL6044777

CC(C)(C)c1ccc(Br)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 8/20 0.54
▸ ALDH1A1 P00352 7/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ ATP2A2 P16615 1/20 0.54
▸ ATP2A3 Q93084 1/20 0.54
▸ TDP1 Q9NUW8 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ TYR P14679 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ NR1I2 O75469 1/20 0.45
▸ MIF P14174 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NFE2L2 Q16236 1/20 0.45
▸ CA2 P00918 3/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL30390153 1.00 ALOX15 (0.54) ALOX15ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL14879742 0.84 ALOX15 (0.43) ALOX15ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL396749 0.82 ALDH1A1 (0.61) ALOX15ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL22140388 0.79 ALOX15 (0.39) ALOX15ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL15301192 0.79 CASP1 (0.41) ALOX15ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL12732773 0.79 ESRRA (0.49) ALOX15ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL30874683 0.78 PTGDR2 (0.46) ALOX15ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL9248443 0.78 PTGDR2 (0.46) ALOX15ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL6510666 0.78 ALDH1A1 (0.67) ALOX15ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL19457567 0.78 ALOX15 (0.38) ALOX15ALDH1A1SMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122037020-A Supported catalyst, preparation method thereof and application thereof in olefin polymerization 中国石油化工股份有限公司 2026-05-15 — — CN claimed
CN-122037020-A Supported catalyst, preparation method thereof and application thereof in olefin polymerization 中国石油化工股份有限公司 2026-05-15 — — CN disclosed
CN-120035582-A Pyridazinone compounds for the treatment of respiratory diseases 病童医院 2025-05-23 — — CN disclosed
US-20240208910-A1 ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AhR IMBALANCE Dermavant Sciences GmbH (CH) 2024-06-27 — — US disclosed
US-20240208910-A1 ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AhR IMBALANCE Dermavant Sciences GmbH (CH) 2024-06-27 — — US disclosed
CN-112679635-B Preparation method of supported metallocene catalyst and catalyst prepared by preparation method 中国石油化工股份有限公司 2024-03-26 — — CN disclosed
US-11827605-B2 Isoquinoline compounds and their use in treating AhR imbalance Dermavant Sciences GmbH (CH) 2023-11-28 — — US disclosed
US-11827605-B2 Isoquinoline compounds and their use in treating AhR imbalance Dermavant Sciences GmbH (CH) 2023-11-28 — — US disclosed
CN-116157387-A Isoquinoline compounds and their use in the treatment of AhR imbalance 德玛万科学有限公司 2023-05-23 — — CN disclosed
US-20230124135-A1 ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AhR IMBALANCE Dermavant Sciences GmbH (CH) 2023-04-20 — — US disclosed
US-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 — — US disclosed
US-5646143-A FOR TREATING A VARIETY OF CONDITIONS CIBA-GEIGY CORPORATION (US) 1997-07-08 — — US disclosed
US-5627182-A RENIN INHIBITORS FOR USE AS HYPOTENSIVE AGENTS CIBA GEIGY CORPORATION (US) 1997-05-06 — — US disclosed
WO-1996033716-A1 RARβ SELECTIVE RETINOID COMPOUNDS FOR INHIBITING GENE EXPRESSION PROMOTED BY AP1 PROTEIN AND THEIR USE IN THERAPY ALLERGAN (US) 1996-10-31 — — WO disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 — — US disclosed
WO-1996020938-A1 ACETYLENES DISUBSTITUTED WITH 2-TETRAHYDROPYRANOXYARYL AND ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-07-11 — — WO disclosed
WO-1996020937-A1 ACETYLENES DISUBSTITUTED WITH HYDROXYARYL AND ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-07-11 — — WO disclosed
US-5534641-A Acetylenes disubstituted with 2-tetrahydropyranoxyaryl and aryl or heteroaryl groups having retinoid-like biological activity ALLERGAN 1996-07-09 — — US disclosed
US-5498795-A ANTITUMOR AGENTS, SKIN DISORDERS, ATHEROSCLEROSIS, PROSTATE CANCER AND AUTOIMMUNE DISEASES ALLERGAN, INC. (US) 1996-03-12 — — US disclosed
CN-1117960-A Novel delta-amino-gamma hydroxy-omega-aryl-alkanamides CIBA GEIGY AG (CH) 1996-03-06 — — CN 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 (3 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-20230124135-A1 ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AhR IMBALANCE AHR, ARNT, HRH1 ALOX15 542/4885ALDH1A1 173/4885SMN1; SMN2 4218/4885
US-11827605-B2 Isoquinoline compounds and their use in treating AhR imbalance AHR, ARNT, HRH1 ALOX15 542/4885ALDH1A1 173/4885SMN1; SMN2 4218/4885
US-20240208910-A1 ISOQUINOLINE COMPOUNDS AND THEIR USE IN TREATING AhR IMBALANCE AHR, ARNT, HRH1 ALOX15 542/4885ALDH1A1 173/4885SMN1; SMN2 4218/4885

“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.

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