SCHEMBL3326702

SCHEMBL3326702

COc1cc(Br)c(OC(C)=O)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNFSF11 O14788 1/20 0.63
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
TSHR P16473 1/20 0.51
NR3C1 P04150 4/20 0.47
ALDH1A1 P00352 1/20 0.47
JUN P05412 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP3A4 P08684 2/20 0.46
PRKDC P78527 1/20 0.46
PTGS1 P23219 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
BACE1 P56817 1/20 0.43
PGR P06401 2/20 0.43
AR P10275 2/20 0.43

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
SCHEMBL14597441 0.89 CFD (0.48) TNFSF11LCKFYNTSHRALDH1A1
SCHEMBL27602532 0.85 TNFSF11 (0.83) TNFSF11TSHRNR3C1ALDH1A1JUN
SCHEMBL21723164 0.85 TNFSF11 (0.83) TNFSF11TSHRNR3C1ALDH1A1JUN
SCHEMBL8928654 0.85 TNFSF11 (0.83) TNFSF11TSHRNR3C1ALDH1A1JUN
SCHEMBL3993973 0.80 TNFSF11 (0.54) TNFSF11TSHRNR3C1ALDH1A1CYP3A4
SCHEMBL20208856 0.79 NCEH1 (0.51) TNFSF11TSHRALDH1A1PTGS1HPGD
SCHEMBL19683379 0.79 NCEH1 (0.51) TNFSF11TSHRALDH1A1PTGS1HPGD
SCHEMBL8649089 0.79 PRKDC (0.59) TNFSF11LCKFYNTSHRNR3C1
SCHEMBL6535987 0.79 PRKDC (0.74) TNFSF11LCKFYNTSHRALDH1A1
SCHEMBL15680262 0.78 LCK (0.61) TNFSF11LCKFYNTSHRNR3C1

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 TNFSF11 4072/4885LCK 1874/4885FYN 1824/4885

“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.