SCHEMBL3797950

SCHEMBL3797950

Cc1cc(C)cc(C=C(C(=O)O)c2ccc(Oc3ccc(C=O)cc3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.50
PARP3 Q9Y6F1 1/20 0.50
AKR1C3 P42330 7/20 0.46
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DHODH Q02127 1/20 0.42
POLB P06746 1/20 0.42
PTGS2 P35354 3/20 0.41
AKR1C1 Q04828 3/20 0.41
AKR1C2 P52895 2/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL3797946 1.00 PARP10 (0.50) PARP10PARP3AKR1C3ALDH1A1MEN1
SCHEMBL3801854 0.89 AKR1C3 (0.58) PARP10PARP3AKR1C3ALDH1A1PTGS2
SCHEMBL13347270 0.89 AKR1C3 (0.58) PARP10PARP3AKR1C3ALDH1A1PTGS2
SCHEMBL3801855 0.89 AKR1C3 (0.58) PARP10PARP3AKR1C3ALDH1A1PTGS2
SCHEMBL4890342 0.85 ALDH1A1 (0.54) PARP10PARP3AKR1C3ALDH1A1MEN1
SCHEMBL4890340 0.85 ALDH1A1 (0.54) PARP10PARP3AKR1C3ALDH1A1MEN1
SCHEMBL3797293 0.79 HPGD (0.56)
SCHEMBL3797290 0.79 HPGD (0.56)
SCHEMBL13347279 0.79 HPGD (0.56)
SCHEMBL3797595 0.78 PTGS2 (0.57) AKR1C3ALDH1A1MEN1KMT2APOLB

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-7718682-B2 Heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2010-05-18 US disclosed
US-20080293949-A1 Novel heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2008-11-27 US disclosed
US-7407978-B2 Heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2008-08-05 US disclosed
US-20060235062-A1 Novel heterocyclic analogs of diphenylethylene compounds THERACOS, INC. (US) 2006-10-19 US disclosed
EP-1549625-A1 NOVEL HETEROCYCLIC ANALOGS OF DIPHENYLETHYLENE COMPOUNDS Theracos, Inc. (US) 2005-07-06 EP disclosed
WO-2004033438-A1 NOVEL HETEROCYCLIC ANALOGS OF DIPHENYLETHYLENE COMPOUNDS THERACOS, INC. (US) 2004-04-22 WO disclosed
US-20030181494-A1 Novel heterocyclic analogs of diphenylethylene compounds SEED, BRIAN 2003-09-25 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 (3 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-20030181494-A1 Novel heterocyclic analogs of diphenylethylene compounds FFAR2, FFAR4, GPR119 PARP10 4609/4885PARP3 3864/4885AKR1C3 1902/4885
US-20060235062-A1 Novel heterocyclic analogs of diphenylethylene compounds FFAR2, FFAR4, GPR119 PARP10 4609/4885PARP3 3864/4885AKR1C3 1902/4885
US-20080293949-A1 Novel heterocyclic analogs of diphenylethylene compounds FFAR2, FFAR4, GPR119 PARP10 4609/4885PARP3 3864/4885AKR1C3 1902/4885

“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.