SCHEMBL4026332

SCHEMBL4026332

CC1(C)OC(=O)c2ccc(Oc3c(F)cc(C=O)cc3F)cc2O1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.37
ALDH1A1 P00352 8/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE4B Q07343 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL4019623 0.86 KMT2A (0.39) MAOBALDH1A1TP53HSD17B10SMN1; SMN2
SCHEMBL20187352 0.83 KMT2A (0.39) MAOBALDH1A1TP53HSD17B10SMN1; SMN2
SCHEMBL13632933 0.77 MAOB (0.33) MAOBALDH1A1TP53PTGS2KMT2A
SCHEMBL1814220 0.77 KMT2A (0.41) ALDH1A1HSD17B10SMN1; SMN2PTGS2KMT2A
SCHEMBL4018263 0.77 ADRB2 (0.34) MAOBALDH1A1KMT2AKDM4EL3MBTL1
SCHEMBL8544716 0.72 MAOA (0.41) MAOBALDH1A1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL31217549 0.71 ALDH1A1 (0.45) MAOBALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL14656252 0.71 SOS1 (0.44) MAOBALDH1A1SMN1; SMN2PTGS1PTGS2
SCHEMBL14667727 0.70 HTR2A (0.39) ALDH1A1PTGS2KMT2AKDM4EL3MBTL1
SCHEMBL14667733 0.70 KDM4E (0.47) MAOBALDH1A1SMN1; SMN2KMT2AKDM4E

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 7 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 disclosed
US-7618996-B2 Diaryl ether derivatives and uses thereof PFIZER INC. (US) 2009-11-17 US disclosed
EP-2064199-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-06-03 EP disclosed
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof PFIZER INC 2008-03-20 US disclosed
WO-2008032156-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-03-20 WO disclosed
WO-2008032156-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-03-20 WO disclosed
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof PFIZER INC 2008-03-20 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 (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 MAOB 658/4885ALDH1A1 492/4885TP53 4804/4885

“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.