SCHEMBL5018903

SCHEMBL5018903

COc1cccc(CC(C)C)c1OC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ABCB1 P08183 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA14 Q9ULX7 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
CRHBP P24387 1/20 0.46
MAPK1 P28482 1/20 0.46
CRHR2 Q13324 1/20 0.46
ELANE P08246 1/20 0.44

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
SCHEMBL27679217 0.85 ALDH1A1 (0.46) ALDH1A1HPGDHTTSMN1; SMN2ABCB1
SCHEMBL729393 0.85 KMT2A (0.55)
SCHEMBL28554357 0.85 ALDH1A1 (0.49) ALDH1A1HPGDHTTSMN1; SMN2ABCB1
SCHEMBL21164700 0.85 ALDH1A1 (0.46) ALDH1A1HPGDHTTSMN1; SMN2ABCB1
Hydrochloric Acid SCHEMBL23524440 0.84 KMT2A (0.57)
SCHEMBL26025126 0.82 AOC3 (0.54) ALDH1A1HTTSMN1; SMN2KDM4EPOLB
SCHEMBL20545745 0.82 ALDH1A1 (0.53) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL878976 0.82 IDO1 (0.53) GABRA1GABRB2ALDH1A1HPGDHTT
SCHEMBL23967531 0.81 MEN1 (0.44) ALDH1A1SMN1; SMN2ABCB1KDM4EABCG2
SCHEMBL13933354 0.81 CA12 (0.51) ALDH1A1HPGDHTTSMN1; SMN2ABCB1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023098825-A1 SOS1 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 勤浩医药(苏州)有限公司 2023-06-08 WO disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 US disclosed
US-10344026-B2 Compositions and methods of targeting mutant K-ras NANTBIO, INC. (US) 2019-07-09 US disclosed
US-20180201610-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO, INC. 2018-07-19 US disclosed
US-9808447-B2 Inhibitors of Rho associated protein kinases (ROCK) and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-11-07 US disclosed
US-9682954-B2 Phenanthridine derivatives, preparation methods and uses thereof KUNMING INSTITUTE OF BOTANY, THE CHINESE ACADEMY OF SCIENCES (CN) 2017-06-20 US disclosed
US-9682954-B2 Phenanthridine derivatives, preparation methods and uses thereof KUNMING INSTITUTE OF BOTANY, THE CHINESE ACADEMY OF SCIENCES (CN) 2017-06-20 US disclosed
US-20170049760-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-02-23 US disclosed
US-20160083364-A1 Phenanthridine Derivatives, Preparation Methods and Uses Thereof CENTER FOR EXCELLENCE IN MOLECULAR CELL SCIENCE, CHINESE ACADEMY OF SCIENCES (CN) 2016-03-24 US disclosed
US-9221808-B2 Pyridylthiazole-based ureas as inhibitors of Rho associated protein kinase (ROCK) and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-12-29 US disclosed
US-8673586-B2 Compounds that interact with kinases ALCHEMIA LIMITED (AU) 2014-03-18 US disclosed
US-20130059839-A1 PYRIDYLTHIAZOLE-BASED UREAS AS INHIBITORS OF RHO ASSOCIATED PROTEIN KINASE (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2013-03-07 US disclosed
US-20130059839-A1 PYRIDYLTHIAZOLE-BASED UREAS AS INHIBITORS OF RHO ASSOCIATED PROTEIN KINASE (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2013-03-07 US disclosed
US-20130011852-A1 COMPOUNDS THAT INTERACT WITH KINASES ALCHEMIA LIMITED (AU) 2013-01-10 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
WO-2011130740-A2 PYRIDYLTHIAZOLE-BASED UREAS AS INHIBITORS OF RHO ASSOCIATED PROTEIN KINASE (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2011-10-20 WO disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20080176815-A1 Compounds that interact with kinases ALCHEMIA LIMITED (AU) 2008-07-24 US disclosed
US-20080176815-A1 Compounds that interact with kinases ALCHEMIA LIMITED (AU) 2008-07-24 US disclosed
US-7291623-B2 Compounds that interact with kinases ALCHEMIA LIMITED (AU) 2007-11-06 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 (8 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-20160083364-A1 Phenanthridine Derivatives, Preparation Methods and Uses Thereof CTNNB1, WNT3A, WNT1 GABRA1 4497/4885GABRB2 3806/4885ALDH1A1 1893/4885
US-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 GABRA1 4484/4885GABRB2 4376/4885ALDH1A1 1121/4885
US-20130059839-A1 PYRIDYLTHIAZOLE-BASED UREAS AS INHIBITORS OF RHO ASSOCIATED PROTEIN KINASE (ROCK) AND METHODS OF USE ROCK1, ROCK2, CIT GABRA1 4712/4885GABRB2 4775/4885ALDH1A1 4453/4885
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 GABRA1 2667/4885GABRB2 1652/4885ALDH1A1 4062/4885
US-10344026-B2 Compositions and methods of targeting mutant K-ras KRAS, NRAS, HRAS GABRA1 2857/4885GABRB2 2551/4885ALDH1A1 4472/4885
US-20080176815-A1 Compounds that interact with kinases MAP3K6, MAP3K20, MAP4K2 GABRA1 3482/4885GABRB2 3234/4885ALDH1A1 3275/4885
US-20170049760-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE ROCK1, ROCK2, CIT GABRA1 4262/4885GABRB2 4448/4885ALDH1A1 4543/4885
US-20180201610-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS KRAS, NRAS, HRAS GABRA1 2857/4885GABRB2 2551/4885ALDH1A1 4472/4885

“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.