SCHEMBL10238246

SCHEMBL10238246

Cc1oc2ccccc2c1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
CYP2C19 P33261 6/20 0.41
EYA3 Q99504 2/20 0.41
CASP7 P55210 2/20 0.41
CYP2C9 P11712 2/20 0.41
NQO1 P15559 2/20 0.41
CRHBP P24387 1/20 0.41
CASP6 P55212 1/20 0.41
CRHR2 Q13324 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
PGAM1 P18669 1/20 0.40
MAOA P21397 1/20 0.40
CASP1 P29466 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
Hydrochloric Acid SCHEMBL23532113 0.82 CA2 (0.46) CA2CYP2C19EYA3CASP7CYP2C9
SCHEMBL13328139 0.79 CYP2C9 (0.41) EYA3CASP7CYP2C9NQO1CRHBP
SCHEMBL15980779 0.77 KDM4E (0.59) CASP7CYP2C9NQO1CRHBPCASP6
SCHEMBL5730839 0.76 CYP2C9 (0.56) CASP7CYP2C9NQO1CRHBPCASP6
SCHEMBL14299512 0.75 CYP2C19 (0.54) CYP2C19EYA3CYP2C9NQO1HIF1A
SCHEMBL19135899 0.75 SMN1; SMN2 (0.41) CYP2C19CASP7CYP2C9NQO1CRHBP
SCHEMBL1255123 0.73 KDM4E (0.44) CASP7CYP2C9NQO1CRHBPCASP6
SCHEMBL23890954 0.73 ACHE (0.34)
SCHEMBL15842710 0.73 KDM4E (0.54) CASP7CYP2C9NQO1CRHBPCASP6
SCHEMBL30028309 0.73 ALDH2 (0.52) CA2CYP2C19EYA3CASP7CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230172046-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THEREOF LG DISPLAY CO., LTD. (KR) 2023-06-01 US disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-10633386-B2 BET protein degraders THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-04-28 US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 US disclosed
US-20190169195-A1 BET PROTEIN DEGRADERS UNIV MICHIGAN REGENTS (US) 2019-06-06 US disclosed
EP-3053926-B1 FUSED PYRIMIDINE COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND APPLICATION THEREOF SHANGHAI YINGLI PHARM CO LTD (CN) 2018-08-08 EP disclosed
US-20180051052-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS INC (US) 2018-02-22 US disclosed
US-9365611-B2 19-NOR neuroactive steroids and methods of use thereof SAGE THERAPEUTICS, INC. (US) 2016-06-14 US disclosed
US-20160083418-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2016-03-24 US disclosed
US-20100093705-A1 Therapeutic agents, and methods of making and using the same DEBIOPHARM INTERNATIONAL SA (CH) 2010-04-15 US disclosed
US-20100093705-A1 Therapeutic agents, and methods of making and using the same DEBIOPHARM INTERNATIONAL SA (CH) 2010-04-15 US disclosed
US-7572784-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-11 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
EP-1771450-B9 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION BY INHIBITION OF AURORA KINASE MILLENNIUM PHARM INC (US) 2008-12-24 EP disclosed
US-20080045501-A1 Pyridobenzazepine compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-21 US disclosed
EP-1771450-B1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION BY INHIBITION OF AURORA KINASE MILLENNIUM PHARM INC (US) 2007-12-19 EP disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 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-20180051052-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF NR3C2, HSD3B1, NR3C1 CA2 4639/4885CYP2C19 64/4885EYA3 2841/4885
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL CA2 3741/4885CYP2C19 3954/4885EYA3 3957/4885
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents GAA, TFPI, DBI CA2 2091/4885CYP2C19 1871/4885EYA3 3350/4885
US-20100093705-A1 Therapeutic agents, and methods of making and using the same MCL1, DHFR, ANXA5 CA2 1146/4885CYP2C19 3399/4885EYA3 840/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL CA2 3741/4885CYP2C19 3954/4885EYA3 3957/4885
US-20080045501-A1 Pyridobenzazepine compounds and methods for inhibiting mitotic progression AURKB, AURKC, AURKA CA2 2736/4885CYP2C19 2387/4885EYA3 999/4885
US-20160083418-A1 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF NR3C2, HSD3B1, HSD3B2 CA2 4633/4885CYP2C19 61/4885EYA3 2747/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A CA2 3289/4885CYP2C19 2217/4885EYA3 4322/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 CA2 4386/4885CYP2C19 4141/4885EYA3 3793/4885
US-10633386-B2 BET protein degraders BRD4, BET1, BRD1 CA2 3403/4885CYP2C19 4495/4885EYA3 1217/4885
US-20190169195-A1 BET PROTEIN DEGRADERS BRD4, BET1, BRD1 CA2 3421/4885CYP2C19 4551/4885EYA3 1121/4885

“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.