SCHEMBL4752882

SCHEMBL4752882

CC(C)c1cccc(O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.41
GABRB2 P47870 3/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
PTGS1 P23219 2/20 0.41
HIF1A Q16665 2/20 0.41
FAAH O00519 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
GABRB1 P18505 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL16005884 0.82 PARP1 (0.36) GABRA1GABRB2CA1CA2CYP3A4
SCHEMBL786336 0.82 PGK1 (0.39) GABRA1GABRB2CA1CA2CYP3A4
SCHEMBL19454217 0.79 TSHR (0.44) GABRA1GABRB2CYP3A4HPGDPTGS1
SCHEMBL25864526 0.78 PGK1 (0.39) HPGDPGK1PGK2ALDH1A1MAPT
SCHEMBL5179094 0.76 PGK1 (0.47) PGK1PGK2ALDH1A1
SCHEMBL26141064 0.76 UGT2B7 (0.39) GABRA1GABRB2CA1CA2CYP3A4
SCHEMBL9232328 0.76 UGT2B7 (0.39) GABRA1GABRB2CA1CA2CYP3A4
SCHEMBL31085146 0.76 UGT2B7 (0.39) GABRA1GABRB2CA1CA2CYP3A4
SCHEMBL26141065 0.76 UGT2B7 (0.39) GABRA1GABRB2CA1CA2CYP3A4
SCHEMBL647464 0.76 SMN1; SMN2 (0.36) CA1CA2CYP3A4HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. 2024-01-25 US disclosed
US-11873290-B2 2024-01-16 US disclosed
US-11873290-B2 2024-01-16 US disclosed
US-11834444-B2 Processes for preparation of soluble guanylate cyclase stimulators CYCLERION THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
US-11834444-B2 Processes for preparation of soluble guanylate cyclase stimulators CYCLERION THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
WO-2023230190-A1 PYRIMIDINE BASED MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-11-30 WO disclosed
US-20110009386-A1 FURO[3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2011-01-13 US disclosed
US-20110009386-A1 FURO[3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2011-01-13 US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2010-07-22 US disclosed
US-20100152207-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2010-06-17 US disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
WO-2009112826-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHEPSIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2009-09-17 WO disclosed
US-7582770-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
US-20090170859-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-02 US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US 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-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 GABRA1 713/4885GABRB2 1001/4885CA1 4763/4885
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 GABRA1 984/4885GABRB2 1131/4885CA1 3006/4885
US-11873290-B2 IL6, MUSK, IL6ST GABRA1 641/4885GABRB2 977/4885CA1 4880/4885
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 GABRA1 3940/4885GABRB2 4513/4885CA1 1404/4885
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR GABRA1 651/4885GABRB2 785/4885CA1 894/4885
US-20090170859-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 GABRA1 3007/4885GABRB2 2836/4885CA1 4822/4885
US-20100152207-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR GABRA1 624/4885GABRB2 736/4885CA1 984/4885
US-20110009386-A1 FURO[3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK GABRA1 3863/4885GABRB2 3536/4885CA1 519/4885
US-11834444-B2 Processes for preparation of soluble guanylate cyclase stimulators GUCY1B1, GUCY1B2, GUCY1A2 GABRA1 1663/4885GABRB2 1753/4885CA1 4676/4885
US-20240025879-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF IL6, IL1B, IL1A GABRA1 734/4885GABRB2 1304/4885CA1 4879/4885
US-11912723-B2 KRAS modulators and uses thereof KRAS, NRAS, HRAS GABRA1 1917/4885GABRB2 2033/4885CA1 3603/4885

“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.