SCHEMBL195044

SCHEMBL195044

COc1ccc(C(C)(C)C)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
CYP19A1 P11511 1/20 0.49
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RECQL P46063 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ACHE P22303 1/20 0.43
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
METAP2 P50579 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
SCHEMBL12677632 0.86 ESR1 (0.50) KDM4ECYP19A1ALDH1A1SMN1; SMN2CA1
SCHEMBL14499491 0.86 PDGFRB (0.46) KDM4ECYP19A1KMT2ATSHRMAPT
SCHEMBL2625766 0.84 KDM4E (0.43) KDM4ECYP19A1KMT2AALDH1A1SMN1; SMN2
SCHEMBL701208 0.84 KDM4E (0.55) KDM4EKMT2AALDH1A1SMN1; SMN2RECQL
SCHEMBL29436012 0.84 CA2 (0.50) KMT2AALDH1A1SMN1; SMN2CA1CA2
SCHEMBL179467 0.84 CA2 (0.50) KMT2AALDH1A1SMN1; SMN2CA1CA2
SCHEMBL12062507 0.83 CYP19A1 (0.54) KDM4ECYP19A1ALDH1A1ACHEGAA
SCHEMBL10357443 0.83 CYP19A1 (0.46) KDM4ECYP19A1ALDH1A1SMN1; SMN2CA1
SCHEMBL2051020 0.82 ALDH1A1 (0.45) KDM4EKMT2AALDH1A1SMN1; SMN2CA1
SCHEMBL12736319 0.81 CYP19A1 (0.57) KDM4ECYP19A1KMT2AALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 US disclosed
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 US disclosed
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2024-01-25 US disclosed
US-11773122-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES. INC. (US) 2023-10-03 US disclosed
US-20230293518-A1 SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES EDGEWISE THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230293518-A1 SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES EDGEWISE THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230288824-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJIFILM BUSINESS INNOVATION CORP. (JP) 2023-09-14 US disclosed
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230250117-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-08-10 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors ASTEX THERAPEUCTICS, LIMITED (US) 2007-06-14 US disclosed
US-7217712-B2 4-Substituted-5-cyano-1H-pyrimidin-6-(thi)ones as GSK-3 inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-15 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
WO-2006070192-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
US-5069991-A NAPHTHOLACTAM OR ISINDOLENINE DYE BASF AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
US-4219570-A Insect repellents and a method of repelling insects AJINOMOTO COMPANY, INCORPORATED (JP) 1980-08-26 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 (10 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-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B KDM4E 1955/4885CYP19A1 1207/4885KMT2A 3150/4885
US-20230293518-A1 SUBSTITUTED PYRIDAZINONES FOR USE IN THE TREATMENT OF NEUROMUSCULAR DISEASES IL6, MUSK, SMN1; SMN2 KDM4E 3081/4885CYP19A1 3593/4885KMT2A 3767/4885
US-12030904-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 KDM4E 3875/4885CYP19A1 2808/4885KMT2A 3795/4885
US-20230250117-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 KDM4E 3875/4885CYP19A1 2808/4885KMT2A 3795/4885
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME CACNA1I, CACNA1B, CACNA1C KDM4E 2229/4885CYP19A1 4671/4885KMT2A 2619/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 KDM4E 327/4885CYP19A1 3814/4885KMT2A 721/4885
US-20070135477-A1 Benzimidazole derivatives and their use as protein kinases inhibitors CDK1, AURKA, CDK2 KDM4E 828/4885CYP19A1 962/4885KMT2A 1433/4885
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 KDM4E 3875/4885CYP19A1 2808/4885KMT2A 3795/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA KDM4E 2305/4885CYP19A1 332/4885KMT2A 937/4885
US-11773122-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 KDM4E 3875/4885CYP19A1 2808/4885KMT2A 3795/4885

“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.