SCHEMBL1032004

SCHEMBL1032004

COc1ccc(CCC(N)=O)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
ATM Q13315 1/20 0.62
CYP19A1 P11511 1/20 0.59
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
CA2 P00918 2/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA9 Q16790 1/20 0.56
ALDH1A1 P00352 1/20 0.56
AOC3 Q16853 1/20 0.56
LDHA P00338 1/20 0.56
ALOX5 P09917 1/20 0.55
OR51E2 Q9H255 1/20 0.55
LTA4H P09960 1/20 0.55
REN P00797 1/20 0.54
CTSD P07339 1/20 0.54

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
SCHEMBL28176844 1.00 KDM4E (0.62) KDM4EATMCYP19A1KMT2AMEN1
Hydrochloric Acid SCHEMBL10448977 0.98 KDM4E (0.61) KDM4EATMCYP19A1KMT2AMEN1
SCHEMBL2224074 0.91 ATM (0.61) KDM4EATMCYP19A1KMT2ACA2
SCHEMBL14985425 0.91 PTGS1 (0.59) KDM4EATMCYP19A1KMT2AMEN1
SCHEMBL2221405 0.90 KDM4E (0.59) KDM4EATMCYP19A1KMT2ACA2
Water SCHEMBL11279881 0.90 ATM (0.59) KDM4EATMCYP19A1KMT2ACA2
SCHEMBL8501979 0.89 MAPK1 (0.54) KDM4EATMKMT2AMEN1ALOX5
SCHEMBL5724212 0.88 ALOX5 (0.72) ALDH1A1ALOX5OR51E2LTA4H
SCHEMBL5192275 0.88 KDM4E (0.57) KDM4EATMCYP19A1CA2CA12
SCHEMBL3579994 0.87 ALOX5 (0.66) KDM4EATMKMT2AMEN1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107298655-B 7,8- dimethoxy -2,3,4,5- tetrahydro -1H- benzo [c] azatropylidene hydrochloride and preparation method thereof 郑州轻工业学院 2019-11-15 CN claimed
CN-107298655-A 7,8 dimethoxy 2,3,4,5 tetrahydrochysene 1H benzos [c] azatropylidene hydrochloride and preparation method thereof 郑州轻工业学院 2017-10-27 CN claimed
EP-3008055-B1 TETRAZOLONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-07-19 EP claimed
EP-3008055-A1 NOVEL TETRAZOLONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-20 EP claimed
EP-2661436-B1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2016-04-13 EP claimed
US-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-03-24 US claimed
CN-105283452-A Novel tetrazolone derivatives HOFFMANN LA ROCHE 2016-01-27 CN claimed
US-9233964-B2 Sulfamide piperazine derivatives as protein tyrosine kinase inhibitors and pharmaceutical use therof LEO PHARMA A/S (DK) 2016-01-12 US claimed
WO-2014198592-A1 NOVEL TETRAZOLONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-18 WO claimed
US-20130345194-A1 SUBSTITUTED CYCLOPENTYL-AZINES AS CASR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2013-12-26 US claimed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed
JP-2007513193-A 2007-05-24 JP claimed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP claimed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US claimed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP claimed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO claimed
EP-0644772-A4 OPIOID PEPTIDES. BIOMEASURE INC (US) 1997-01-29 EP claimed
EP-0644772-A1 OPIOID PEPTIDES BIOMEASURE, INC. (US) 1995-03-29 EP claimed
WO-1994011018-A1 OPIOID PEPTIDES BIOMEASURE, INC. (US) 1994-05-26 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20130345194-A1 SUBSTITUTED CYCLOPENTYL-AZINES AS CASR-ACTIVE COMPOUNDS JAK1, CNKSR1, TSHR KDM4E 2862/4885ATM 1139/4885CYP19A1 746/4885
US-20160083357-A1 NOVEL TETRAZOLONE DERIVATIVES TBXA2R, CYP11B2, NR1I2 KDM4E 4009/4885ATM 2450/4885CYP19A1 305/4885
US-20050153962-A1 Thiazole derivatives CNR1, CNR2, GPR119 KDM4E 3200/4885ATM 2787/4885CYP19A1 371/4885

“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.