SCHEMBL4020004

SCHEMBL4020004

NC(=O)c1ccc(Oc2c(F)cc(CNC3Cc4ccccc4C3)cc2F)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.42
OPRM1 P35372 5/20 0.39
OPRD1 P41143 5/20 0.39
OPRK1 P41145 5/20 0.39
HDAC1 Q13547 1/20 0.39
PARP10 Q53GL7 5/20 0.35
PARP15 Q460N3 3/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
PARP14 Q460N5 1/20 0.35
SMO Q99835 1/20 0.34
GRIN2B Q13224 1/20 0.34
PRMT5 O14744 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL4024269 0.89 LMNA (0.42) FYNOPRM1OPRD1OPRK1HDAC1
SCHEMBL4018141 0.87 PARP10 (0.44) OPRK1HDAC1PARP10PARP15LMNA
SCHEMBL5354334 0.81 FYN (0.52) FYNOPRM1OPRD1OPRK1HDAC1
SCHEMBL4020001 0.78 PARP10 (0.33) PARP10PARP15LMNAPARP14KDM4E
SCHEMBL4016203 0.78 PARP10 (0.39) OPRM1OPRD1OPRK1PARP10PARP15
SCHEMBL4018676 0.77 PARP10 (0.41) PARP10PARP15LMNAKDM4EALDH1A1
SCHEMBL4014221 0.74 MEN1 (0.36) OPRM1OPRD1OPRK1HDAC1PARP10
SCHEMBL4018667 0.74 FPR2 (0.39) PARP10PARP15
SCHEMBL4018723 0.74 OPRM1 (0.41) OPRM1OPRD1OPRK1PARP10PARP15
SCHEMBL4018367 0.74 ATM (0.44) LMNAKDM4EALDH1A1RAB9ASMN1; SMN2

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-7618996-B2 Diaryl ether derivatives and uses thereof PFIZER INC. (US) 2009-11-17 US claimed
EP-2064199-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-06-03 EP claimed
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof PFIZER INC 2008-03-20 US claimed
WO-2008032156-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-03-20 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 (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-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 FYN 1216/4885OPRM1 4/4885OPRD1 1/4885

“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.