SCHEMBL2663791

SCHEMBL2663791

C=CCc1c(Oc2ccc(C)cc2)cc(C(=O)OC)cc1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
MMP13 P45452 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
USP2 O75604 1/20 0.37
CNR2 P34972 2/20 0.36
BLM P54132 1/20 0.35
MAPT P10636 3/20 0.35
NR4A2 P43354 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL642566 0.86 PTGS2 (0.38) KDM4EKMT2AUSP2RAB9A
SCHEMBL2555406 0.81 CA12 (0.38) TDP1ALDH1A1HPGDKDM4EKMT2A
SCHEMBL12283511 0.79 KDM4E (0.44) TDP1ALDH1A1HPGDKDM4EKMT2A
SCHEMBL10253519 0.78 TDP1 (0.45) TDP1MMP13ALDH1A1HPGDKDM4E
SCHEMBL10253689 0.76 TDP1 (0.43) TDP1MMP13ALDH1A1HPGDKDM4E
SCHEMBL643195 0.75 HPGD (0.53) TDP1ALDH1A1HPGDKDM4EKMT2A
SCHEMBL5193324 0.75 TDP1 (0.56) TDP1MMP13ALDH1A1HPGDKDM4E
SCHEMBL643051 0.75 LMNA (0.50) TDP1ALDH1A1HPGDKDM4EKMT2A
SCHEMBL29826422 0.75 TDP1 (0.56) TDP1MMP13ALDH1A1HPGDKDM4E
SCHEMBL14204739 0.73 CYP3A4 (0.46) TDP1ALDH1A1KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119624-B2 Fused phenyl amido heterocyclic compounds PFIZER INC. (US) 2012-02-21 US disclosed
US-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds PFIZER INC 2011-02-17 US disclosed
US-7842713-B2 Fused phenyl amido heterocyclic compounds PFIZER INC (US) 2010-11-30 US disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 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-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds GCK, GCKR, HK1 TDP1 3854/4885MMP13 2007/4885ALDH1A1 1370/4885
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS GCK, GCKR, HK1 TDP1 3854/4885MMP13 2007/4885ALDH1A1 1370/4885

“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.