SCHEMBL1613775

SCHEMBL1613775

CCOC(=O)CCCOc1ccc(Cl)cc1C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
KDM4E B2RXH2 2/20 0.67
TP53 P04637 1/20 0.67
ALOX15 P16050 1/20 0.67
GAA P10253 1/20 0.65
ALDH1A1 P00352 3/20 0.65
USP2 O75604 1/20 0.60
HPGD P15428 4/20 0.60
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.53

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
SCHEMBL29351129 1.00 MEN1 (0.76) MEN1KMT2AKDM4ETP53ALOX15
SCHEMBL6580936 0.93 MEN1 (0.66) MEN1KMT2AKDM4ETP53ALOX15
Diphenylether SCHEMBL1324456 0.90 MEN1 (0.64) MEN1KMT2AKDM4ETP53ALOX15
SCHEMBL1090743 0.89 MAPT (0.74) MEN1KMT2ATP53ALDH1A1HPGD
SCHEMBL1982676 0.89 MEN1 (0.61) MEN1KMT2AKDM4ETP53ALOX15
SCHEMBL19183360 0.87 MAPT (0.76) MEN1KMT2AKDM4ETP53ALOX15
SCHEMBL29376994 0.87 MAPT (0.76) MEN1KMT2AKDM4ETP53ALOX15
SCHEMBL9031651 0.86 MEN1 (0.62) MEN1KMT2AKDM4ETP53ALOX15
SCHEMBL28365097 0.86 GAA (0.62) MEN1KMT2AKDM4ETP53ALOX15
SCHEMBL25394359 0.85 MEN1 (0.68) MEN1KMT2AKDM4ETP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515649-A2 ACTIVE COMPOUND COMBINATIONS Bayer Intellectual Property GmbH (DE) 2012-10-31 EP claimed
WO-2011080044-A2 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-07-07 WO claimed
US-20110152077-A1 Active compound combinations BAYER CROPSCIENCE AG (DE) 2011-06-23 US claimed
CN-101022731-B Herbicidal composition ISHIHARA SANGYO KAISHA 2010-06-16 CN claimed
US-20080108115-A1 ENHANCED PRODUCTION OF TAXOL AND TAXANES BY CELL CULTURES OF TAXUS SPECIES DFB BIOTECH, INCORPORATED (US) 2008-05-08 US claimed
US-20070232492-A1 Herbicidal Composition ISHIHARA SANGYO KAISHA, LTD. (JP) 2007-10-04 US claimed
US-7264951-B1 Enhanced production of taxol and taxanes by cell cultures of Taxus species PHYTON, INC. (US) 2007-09-04 US claimed
CN-101022731-A Herbicidal composition ISHIHARA SANGYO KAISHA (JP) 2007-08-22 CN claimed
JP-60008204-A None JP disclosed
JP-56092203-A None JP disclosed
JP-63051304-A None JP disclosed
JP-59048404-A None JP disclosed
JP-59199614-A None JP disclosed
JP-1175908-A None JP disclosed
US-4063925-A Herbicidal compositions SANKYO COMPANY LIMITED (JA) 1977-12-20 US disclosed
US-4052395-A AGRICULTURAL FUNGICIDAL COMPOSITIONS CONTAINING 6-(SUBSTITUTED PHENYL)-PYRIDAZINONES AND SAID PYRIDAZINONES SANKYO COMPANY LIMITED (JA) 1977-10-04 US disclosed
US-4036631-A Pyrazolone derivatives and their use as herbicides SANKYO COMPANY LIMITED (JA) 1977-07-19 US disclosed
JP-S05780308-A 0001-01-01 JP disclosed
JP-S05692203-A 0001-01-01 JP disclosed
JP-S06351304-A 0001-01-01 JP 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-20110152077-A1 Active compound combinations BROX, ATL3, AKR7A2 MEN1 95/4885KMT2A 3664/4885KDM4E 3825/4885
US-20070232492-A1 Herbicidal Composition DDT, SPIN2B, CCNB3 MEN1 1069/4885KMT2A 1270/4885KDM4E 3581/4885

“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.