SCHEMBL6438561

SCHEMBL6438561

CCC(=C(CC)c1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
ALDH1A1 P00352 3/20 0.60
TP53 P04637 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
ESR1 P03372 2/20 0.58
KMT2A Q03164 2/20 0.58
HIF1A Q16665 2/20 0.58
NR1I2 O75469 2/20 0.58
DRD1 P21728 2/20 0.58
ALOX15 P16050 2/20 0.58
MEN1 O00255 1/20 0.58
USP2 O75604 1/20 0.58
LMNA P02545 1/20 0.58
NR3C1 P04150 1/20 0.58
CYP1A2 P05177 1/20 0.58
FYN P06241 1/20 0.58
PGR P06401 1/20 0.58
CHRM2 P08172 1/20 0.58
ADRB1 P08588 1/20 0.58
CYP3A4 P08684 1/20 0.58

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
SCHEMBL5692963 0.91 ESR1 (0.75) TSHRALDH1A1TP53SMN1; SMN2ESR1
SCHEMBL5692961 0.91 ESR1 (0.75) TSHRALDH1A1TP53SMN1; SMN2ESR1
Diethylstilbestrol SCHEMBL28910780 0.86 ESR1 (0.68) TSHRALDH1A1TP53SMN1; SMN2ESR1
SCHEMBL67952 0.85 ALDH1A1 (0.50) TSHRALDH1A1TP53SMN1; SMN2ESR1
Terephthalic Acid SCHEMBL27306913 0.84 TSHR (0.75) TSHRALDH1A1TP53SMN1; SMN2KMT2A
SCHEMBL3811247 0.82 ESR1 (0.78) TSHRALDH1A1TP53SMN1; SMN2ESR1
Terephthalic Acid SCHEMBL11035242 0.81 TSHR (0.71) TSHRALDH1A1TP53SMN1; SMN2DRD1
Terephthalic Acid SCHEMBL30899317 0.81 TSHR (0.71) TSHRALDH1A1TP53SMN1; SMN2DRD1
Terephthalic Acid SCHEMBL1482407 0.81 TSHR (0.71) TSHRALDH1A1TP53SMN1; SMN2DRD1
SCHEMBL1146446 0.80 SMN1; SMN2 (0.65) TSHRALDH1A1TP53SMN1; SMN2DRD1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867323-B2 Cross-coupling reaction of organosilicon nucleophiles THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-03-15 US disclosed
US-20020183516-A1 Cross-coupling reaction of organosilicon nucleophiles UNIVERSITY OF ILLINOIS URBANA-CHAMPAIGN 2002-12-05 US disclosed
WO-2001094355-A1 CROSS-COUPLING REACTION OF ORGANOSILICON NUCLEOPHILES BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2001-12-13 WO disclosed
US-5364912-A Anisotropic melts, reaction of glycidyl ester of dicarboxylic acid and diol or dicarboxylic acid THE DOW CHEMICAL COMPANY (US) 1994-11-15 US disclosed
EP-0385890-B1 Pocess for the preparation of stilbene derivatives EASTMAN CHEM CO (US) 1994-10-19 EP disclosed
EP-0475238-A2 Mesogenic glycidyl esters THE DOW CHEMICAL COMPANY (US) 1992-03-18 EP disclosed
EP-0472525-A1 PROCESS FOR THE PREPARATION OF STILBENE DERIVATIVES EASTMAN KODAK COMPANY (US) 1992-03-04 EP disclosed
WO-1990010001-A1 PROCESS FOR THE PREPARATION OF STILBENE DERIVATIVES EASTMAN KODAK COMPANY (US) 1990-09-07 WO disclosed
EP-0385890-A1 Pocess for the preparation of stilbene derivatives EASTMAN CHEMICAL COMPANY (US) 1990-09-05 EP disclosed
US-4921964-A Process for the preparation of stilbene derivatives EASTMAN KODAK COMPANY (US) 1990-05-01 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-20020183516-A1 Cross-coupling reaction of organosilicon nucleophiles TST, HPD, PCNA TSHR 4312/4885ALDH1A1 2157/4885TP53 3660/4885

“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.