SCHEMBL3458790

SCHEMBL3458790

CN1CCC(Oc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.59
SRD5A2 P31213 1/20 0.58
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HRH3 Q9Y5N1 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
EPHX2 P34913 6/20 0.53
MTHFD1 P11586 1/20 0.52
MTHFD2 P13995 1/20 0.52
SCN1A P35498 2/20 0.51
SCN2A Q99250 2/20 0.51
SCN3A Q9NY46 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CHEK2 O96017 1/20 0.51
FAAH O00519 2/20 0.50

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
SCHEMBL17869370 0.92 ALDH1A1 (0.55) SRD5A1SRD5A2ALDH1A1LMNACASP3
SCHEMBL22664149 0.92 ALDH1A1 (0.55) SRD5A1SRD5A2ALDH1A1LMNACASP3
SCHEMBL1480727 0.87 HRH3 (0.56) SRD5A1LMNAHRH3SMN1; SMN2SCN1A
SCHEMBL18871654 0.86 PARP10 (0.69) SENP8SENP6HRH3SMN1; SMN2SCN1A
SCHEMBL24244897 0.85 L3MBTL1 (0.53) SRD5A1SRD5A2ALDH1A1LMNACASP3
SCHEMBL26815710 0.85 RXRB (0.53) SMN1; SMN2SCN1ASCN2ASCN3A
SCHEMBL3458256 0.84 SCN1A (0.56) LMNAHRH3SMN1; SMN2EPHX2SCN1A
SCHEMBL1977190 0.84 ALDH1A1 (0.70) SRD5A1SRD5A2ALDH1A1LMNACASP3
SCHEMBL4682743 0.84 SRD5A1 (0.67) SRD5A1SRD5A2ALDH1A1LMNACASP3
SCHEMBL4237677 0.83 SRD5A1 (0.55) SRD5A1SRD5A2ALDH1A1LMNACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3623372-B1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH INC (US) 2026-02-04 EP disclosed
US-20220041559-A1 BENZO-AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS ROTTAPHARM BIOTECH S.R.L. (IT) 2022-02-10 US disclosed
EP-3623372-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS Forma Therapeutics, Inc. (US) 2020-03-18 EP disclosed
EP-3240791-B1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS FORMA THERAPEUTICS INC (US) 2019-11-06 EP disclosed
EP-2266987-B1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2017-05-17 EP disclosed
EP-1575954-B1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-08-03 EP disclosed
US-8785448-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-22 US disclosed
US-20130344031-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-12-26 US disclosed
US-8557845-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-10-15 US disclosed
US-8557857-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-10-15 US disclosed
US-7407971-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2008-08-05 US disclosed
US-7232825-B2 Phenylaminopyrimidine derivatives and methods of use CHEN GUOQING P 2007-06-19 US disclosed
US-7232825-B2 Phenylaminopyrimidine derivatives and methods of use CHEN GUOQING P 2007-06-19 US disclosed
US-20070004705-A1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-01-04 US disclosed
EP-1575954-A2 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-09-21 EP disclosed
WO-2004056827-A2 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2004-07-08 WO disclosed
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO 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 (4 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-20070004705-A1 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors CCNI, CDK1, CDK2 SRD5A1 1434/4885SRD5A2 2270/4885ALDH1A1 1596/4885
US-20130344031-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS CCNI, CDK1, CDK2 SRD5A1 1434/4885SRD5A2 2270/4885ALDH1A1 1596/4885
US-20220041559-A1 BENZO-AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS PDXK, MAP4K2, PLK2 SRD5A1 4264/4885SRD5A2 4496/4885ALDH1A1 2514/4885
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 SRD5A1 615/4885SRD5A2 835/4885ALDH1A1 2804/4885

“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.