SCHEMBL2070299

SCHEMBL2070299

O=C(CO)c1cccc(-c2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 2/20 0.66
FEN1 P39748 2/20 0.66
KMO O15229 1/20 0.62
HDAC8 Q9BY41 2/20 0.56
FFAR4 Q5NUL3 1/20 0.56
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
NR1H4 Q96RI1 2/20 0.47
GPR52 Q9Y2T5 1/20 0.47
EPHX2 P34913 1/20 0.47
DHODH Q02127 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL11110138 0.85 DHODH (0.51) ERCC5FEN1KMOFFAR4DHODH
SCHEMBL21309283 0.85 FFAR4 (0.51) ERCC5FEN1KMOHDAC8FFAR4
SCHEMBL10676989 0.85 ERCC5 (0.62) ERCC5FEN1KMOHDAC8PRSS1
SCHEMBL27903494 0.84 SIRT2 (0.54) ERCC5FEN1FFAR4PTPN1
SCHEMBL12235278 0.83 TDP1 (0.48) ERCC5FEN1FFAR4PTPN1GSK3B
SCHEMBL1419650 0.82 PTPN1 (0.69) ERCC5FEN1KMOHDAC8PRSS1
SCHEMBL22570708 0.82 ERCC5 (0.64) ERCC5FEN1KMOHDAC8PRSS1
SCHEMBL6005391 0.82 L3MBTL1 (0.69) ERCC5FEN1KMOHDAC8PRSS1
SCHEMBL16581135 0.82 ERCC5 (0.64) ERCC5FEN1KMOHDAC8PRSS1
SCHEMBL28017223 0.82 ERCC5 (0.64) ERCC5FEN1KMOHDAC8PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910742-B2 Survivin inhibitors ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
US-20070072833-A1 Survivin inhibitors ABBVIE INC. 2007-03-29 US disclosed
US-20070060584-A1 Biaryl substituted thiazoles, oxazoles and imidazoles as sodium channel blockers MERCK & CO., INC. 2007-03-15 US disclosed
US-6867200-B1 (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-15 US disclosed
EP-0807629-B1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-03-03 EP disclosed
EP-1140859-A2 (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-10-10 EP disclosed
US-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
WO-2000035886-A2 (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-06-22 WO disclosed
EP-0807629-A1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 EP disclosed
EP-0246114-B1 PHOTOCHROMIC SPIROPYRAN COMPOUNDS GEC-MARCONI LIMITED (GB) 1992-09-02 EP disclosed
US-4826977-A Photochromic spiropyran compounds THE PLESSEY COMPANY PLC (GB) 1989-05-02 US disclosed
EP-0178929-B1 PROCESS FOR PRODUCING AROMATIC DIOLS AND THEIR ESTER AND ETHER DERIVATIVES CELANESE CORPORATION (US) 1989-03-22 EP disclosed
EP-0246114-A2 Photochromic spiropyran compounds GEC-MARCONI LIMITED (GB) 1987-11-19 EP disclosed
EP-0178929-A1 Process for producing aromatic diols and their ester and ether derivatives CELANESE CORPORATION (US) 1986-04-23 EP disclosed
US-4479007-A Chroman-4-ones and process for preparing same BAYER AKTIENGESELLSCHAFT (DE) 1984-10-23 US disclosed
US-4415741-A REACTING O-HYDROXYACETOPHENONE AND CYCLOPENTANONE BAYER AKTIENGESELLSCHAFT (DE) 1983-11-15 US disclosed
US-4307020-A REACTING AN 0-HYDROXYACETOPHENONE WITH A GLYOXYLIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1981-12-22 US disclosed
US-4285965-A FUNGICIDES AND INSECTICIDES FOR PLANTS BAYER AKTIENGESELLSCHAFT (DE) 1981-08-25 US disclosed
EP-0000377-B1 PROCESS FOR THE PREPARATION OF CHROMONE DERIVATIVES, NEW CHROMONE DERIVATIVES AND THEIR USE AS PLANT-PROTECTING AGENTS BAYER AG (DE) 1981-01-21 EP disclosed
US-4189498-A FUNGICIDES, ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 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 (2 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-20070072833-A1 Survivin inhibitors XIAP, BIRC5, BIRC3 ERCC5 469/4885FEN1 1297/4885KMO 4754/4885
US-20070060584-A1 Biaryl substituted thiazoles, oxazoles and imidazoles as sodium channel blockers TRPV1, TRPA1, TRPV3 ERCC5 4344/4885FEN1 4879/4885KMO 1158/4885

“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.