SCHEMBL71419

SCHEMBL71419

CC(C)c1cccc2c1OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.44
LMNA P02545 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
SLC6A2 P23975 2/20 0.40
TSHR P16473 2/20 0.40
FAAH O00519 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
GABRB1 P18505 1/20 0.40
PTGS1 P23219 1/20 0.40
HTR2C P28335 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40

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
SCHEMBL22899466 0.85 ALDH1A1 (0.46) ALDH1A1POLBABCG2LMNASLC6A2
SCHEMBL21540996 0.85 ALDH1A1 (0.46) ALDH1A1POLBABCG2LMNASLC6A2
SCHEMBL4473207 0.85 ALDH1A1 (0.46) ALDH1A1POLBABCG2LMNAGABRA1
SCHEMBL14120852 0.85 ALDH1A1 (0.46) ALDH1A1POLBABCG2LMNASLC6A2
SCHEMBL1253241 0.85 ALDH1A1 (0.46) ALDH1A1POLBABCG2LMNASLC6A2
SCHEMBL13046425 0.85 ALDH1A1 (0.46) ALDH1A1POLBABCG2LMNASLC6A2
SCHEMBL16399365 0.85 ALDH1A1 (0.49) ALDH1A1POLBABCG2LMNATSHR
SCHEMBL71418 0.84 ITGB2 (0.44) LMNAGABRA1GABRG2GABRB3SLC6A2
Hydrochloric Acid SCHEMBL3709064 0.83 ALDH1A1 (0.45) ALDH1A1POLBABCG2LMNASLC6A2
Hydrochloric Acid SCHEMBL22836911 0.83 ALDH1A1 (0.45) ALDH1A1POLBABCG2LMNASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2024-02-29 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
WO-2023223055-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2023-11-23 WO disclosed
EP-3901147-B1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-11-22 EP disclosed
US-11820757-B2 Antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2023-11-21 US disclosed
US-20230365560-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-16 US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 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-20070066666-A1 Thiazole compounds SMITHKLINE BEECHAM CORPORATION 2007-03-22 US disclosed
US-20070066666-A1 Thiazole compounds SMITHKLINE BEECHAM CORPORATION 2007-03-22 US disclosed
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 US disclosed
EP-0004895-B1 DICHLOROBENZODIOXOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS SYNERGETIC AGENTS IN INSECTICIDAL AND ACARICIDAL COMPOSITIONS BAYER AG (DE) 1981-04-01 EP disclosed
US-4250187-A 4,5-Dichloro-3-organo-1,2-methylenedioxy-benzene arthropodicide synergizing agents BAYER AKTIENGESELLSCHAFT (DE) 1981-02-10 US disclosed
EP-0004895-A2 Dichlorobenzodioxole derivatives, process for their preparation and their use as synergetic agents in insecticidal and acaricidal compositions BAYER AG (DE) 1979-10-31 EP 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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV ALDH1A1 858/4885POLB 2660/4885ABCG2 3166/4885
US-11820757-B2 Antagonists of the muscarinic acetylcholine receptor M4 CHRM2, CHRM3, CHRM4 ALDH1A1 1973/4885POLB 3112/4885ABCG2 1020/4885
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R ALDH1A1 3184/4885POLB 4772/4885ABCG2 1597/4885
US-20240067636-A1 PYRIDINE, PYRAZINE, AND TRIAZINE COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN2, PTPN1 ALDH1A1 4359/4885POLB 4622/4885ABCG2 1967/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ALDH1A1 2353/4885POLB 380/4885ABCG2 337/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS ALDH1A1 4236/4885POLB 578/4885ABCG2 126/4885
US-20070066666-A1 Thiazole compounds CYP3A5, CYP2C19, CYP3A7 ALDH1A1 211/4885POLB 4513/4885ABCG2 34/4885
US-20230365560-A1 COMPOUNDS AND USES THEREOF BRCA1, VHL, TFEB ALDH1A1 888/4885POLB 850/4885ABCG2 318/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 ALDH1A1 2583/4885POLB 4432/4885ABCG2 2408/4885
US-20070054892-A1 Isoquinoline potassium channel inhibitors KCNQ1, KCNQ2, KCNQ5 ALDH1A1 1553/4885POLB 4430/4885ABCG2 645/4885

“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.