SCHEMBL961967

SCHEMBL961967

COc1ccc2[c]cc(=O)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.56
ALDH1A1 P00352 8/20 0.56
HPGD P15428 6/20 0.56
HSD17B10 Q99714 4/20 0.56
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA3 P07451 2/20 0.56
CA4 P22748 2/20 0.56
CA5A P35218 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
AKR1B1 P15121 1/20 0.56
CA6 P23280 1/20 0.56
CYP2A6 P11509 1/20 0.50
NPC1 O15118 3/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 3/20 0.49
POLB P06746 1/20 0.49
STAT1 P42224 1/20 0.49

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
SCHEMBL7023043 0.76 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL8632474 0.76 MCL1 (0.51) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL5206649 0.74 PGR (0.38) CA12CA1CA9CA2LMNA
SCHEMBL1490915 0.74 CA12 (0.52) KDM4EALDH1A1HPGDHSD17B10CA12
Herniarin SCHEMBL61221 0.72 CA12 (1.00) KDM4EALDH1A1HPGDHSD17B10CA12
Herniarin SCHEMBL17629468 0.72 CA12 (1.00) KDM4EALDH1A1HPGDHSD17B10CA12
Herniarin SCHEMBL29437733 0.72 CA12 (1.00) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL324222 0.72 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10CA12
Herniarin SCHEMBL17113785 0.70 CA12 (0.96) KDM4EALDH1A1HPGDHSD17B10CA12
SCHEMBL6031307 0.70 ALDH1A1 (0.60) KDM4EALDH1A1HPGDHSD17B10CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323816-B1 NOVEL PYRAZOLE DERIVATIVE GREEN TECHNOLOGY CO LTD (JP) 2019-07-03 EP claimed
EP-3323816-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2018-05-23 EP claimed
EP-2698368-B1 NOVEL PYRAZOLE DERIVATIVE GREEN TECHNOLOGY CO LTD (JP) 2018-02-14 EP claimed
US-9399635-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-07-26 US claimed
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PHARMA EIGHT CO., LTD. (JP) 2014-03-27 US claimed
EP-2698368-A1 NOVEL PYRAZOLE DERIVATIVE Pharma Eight Co. Ltd (JP) 2014-02-19 EP claimed
US-20030219841-A1 Method and reagent for the detection of apoptotic cells and of a protease activated during apoptosis FERTIG GEORG (DE) 2003-11-27 US claimed
EP-0667850-B1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE FARMACEUTICI SPA (IT) 1997-05-28 EP claimed
EP-0667850-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS. DOMPE FARMACEUTICI SPA (IT) 1995-08-23 EP claimed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO claimed
US-4873346-A BRONCHODILATORS, TREATMENT OF ASTHMA THE UPJOHN COMPANY (US) 1989-10-10 US claimed
WO-2023084236-A1 NOVEL USE BICYCLETX LIMITED (GB) 2023-05-19 WO disclosed
WO-2023084234-A1 ANTI-INFECTIVE BICYCLIC PEPTIDE LIGANDS BICYCLETX LIMITED (GB) 2023-05-19 WO disclosed
WO-2021006267-A1 SALT OF PYRAZOLE DERIVATIVE AND PREPARATION OF PYRAZOLE DERIVATIVE グリーン・テック株式会社 2021-01-14 WO disclosed
WO-2020235582-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR MOTOR NEURON DISEASE グリーン・テック株式会社 (JP) 2020-11-26 WO disclosed
US-5656656-A Tartronic acids, their acetalic ethers and O-esters DOMPE FARMACEUTICI S.P.A. (IT) 1997-08-12 US disclosed
EP-0667850-B1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE FARMACEUTICI SPA (IT) 1997-05-28 EP disclosed
EP-0667850-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS. DOMPE FARMACEUTICI SPA (IT) 1995-08-23 EP disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed
US-4873346-A BRONCHODILATORS, TREATMENT OF ASTHMA THE UPJOHN COMPANY (US) 1989-10-10 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 (1 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-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, MAPT, PSEN1 KDM4E 3193/4885ALDH1A1 675/4885HPGD 2351/4885

“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.