SCHEMBL3328675

SCHEMBL3328675

COc1ccc(Cl)c(CC(=O)O)c1OC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.50
PDE4D Q08499 7/20 0.49
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TSHR P16473 2/20 0.45
GAA P10253 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
ABCB1 P08183 1/20 0.41
NFKB1 P19838 1/20 0.41
HPGD P15428 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL8667611 0.88 AKR1B1 (0.55) AKR1B1PDE4DALDH1A1HSD17B10KDM4E
SCHEMBL30093426 0.86 AKR1B1 (0.53) AKR1B1PDE4DALDH1A1HSD17B10KDM4E
SCHEMBL8668157 0.85 AKR1B1 (0.52) AKR1B1PDE4DALDH1A1HSD17B10KDM4E
SCHEMBL16267688 0.82 AKR1B1 (0.49) AKR1B1PDE4DALDH1A1HSD17B10TSHR
SCHEMBL10418521 0.80 AKR1B1 (0.41) AKR1B1PDE4DALDH1A1HSD17B10KDM4E
SCHEMBL24495462 0.78 AKR1B1 (0.45) AKR1B1PDE4DALDH1A1HSD17B10KDM4E
SCHEMBL29686843 0.78 AKR1B1 (0.45) AKR1B1PDE4DALDH1A1HSD17B10KDM4E
SCHEMBL4435429 0.78 AKR1B1 (0.67) AKR1B1ALDH1A1HSD17B10MAPTABCB1
SCHEMBL31446274 0.78 AKR1B1 (0.67) AKR1B1ALDH1A1HSD17B10MAPTABCB1
SCHEMBL10622242 0.77 HSD17B10 (0.53) PDE4DALDH1A1HSD17B10KDM4ETSHR

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
EP-2148865-B1 PYRAZOLE INHIBITORS OF WNT SIGNALING GENENTECH INC (US) 2017-05-17 EP disclosed
US-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GRENENTECH, INC. (US) 2010-06-03 US disclosed
EP-2148865-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING Genentech, Inc. (US) 2010-02-03 EP disclosed
WO-2008137408-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GENENTECH, INC. (US) 2008-11-13 WO 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-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING WNT1, WNT3A, CTNNB1 AKR1B1 681/4885PDE4D 2470/4885ALDH1A1 1479/4885

“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.