SCHEMBL2056918

SCHEMBL2056918

COC(=O)CC(=O)c1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
KDM4E B2RXH2 4/20 0.56
NPC1 O15118 4/20 0.56
LMNA P02545 4/20 0.56
MAPT P10636 3/20 0.56
HPGD P15428 3/20 0.56
HTT P42858 3/20 0.56
TSHR P16473 2/20 0.56
ALOX12 P18054 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
RAB9A P51151 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
KCNH2 Q12809 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ALDH1A1 P00352 2/20 0.51

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
SCHEMBL315926 0.87 CTNNB1 (0.54) MEN1KMT2AKDM4ENPC1LMNA
SCHEMBL1167035 0.85 NPC1 (0.55) MEN1KMT2AKDM4ENPC1LMNA
SCHEMBL29987428 0.85 MEN1 (0.72) MEN1KMT2AKDM4ENPC1LMNA
SCHEMBL20487359 0.83 KDM4E (0.54) MEN1KMT2AKDM4ENPC1LMNA
SCHEMBL3022836 0.82 MEN1 (0.59) MEN1KMT2AKDM4ENPC1LMNA
SCHEMBL3026885 0.82 MEN1 (0.59) MEN1KMT2AKDM4ENPC1LMNA
SCHEMBL4457800 0.82 CES2 (0.46) MEN1KMT2AKDM4ENPC1LMNA
SCHEMBL7671012 0.81 KDM4E (0.53) MEN1KMT2AKDM4ENPC1MAPT
SCHEMBL1505243 0.81 LOXL2 (0.56) MEN1KMT2ANPC1HPGDTSHR
SCHEMBL1398937 0.81 CTNNB1 (0.56) MEN1KMT2AKDM4ENPC1LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105112460-A Method for producing (S)-4-methylbenzene methyl propionate from cells UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-12-02 CN claimed
US-6410757-B1 TAXANE COMPOUNDS BIO RESEARCH CORPORATION OF YOKOHAMA (JP) 2002-06-25 US claimed
CN-105112460-A Method for producing (S)-4-methylbenzene methyl propionate from cells UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-12-02 CN disclosed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 WO disclosed
EP-1029857-B1 Baccatin derivatives and a process for producing the same BIO RES CORP OF YOKOHAMA (JP) 2003-07-16 EP disclosed
US-6410757-B1 TAXANE COMPOUNDS BIO RESEARCH CORPORATION OF YOKOHAMA (JP) 2002-06-25 US disclosed
JP-2000239267-A BACCATINE DERIVATIVE AND ITS PRODUCTION YOKOHAMA KOKUSAI BIO KENKYUSHO:KK 2000-09-05 JP disclosed
EP-1029857-A1 Baccatin derivatives and a process for producing the same Bio Research Corporation of Yokohama (JP) 2000-08-23 EP 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR MEN1 659/4885KMT2A 1736/4885KDM4E 3641/4885

“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.