SCHEMBL6181144

SCHEMBL6181144

CC(C)c1ccc(C(CC(=O)O)Cc2ccc(O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.56
ESR2 Q92731 6/20 0.56
GABBR2 O75899 3/20 0.44
GABBR1 Q9UBS5 3/20 0.44
LMNA P02545 3/20 0.44
CYP2C9 P11712 3/20 0.44
NFKB1 P19838 2/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
DRD3 P35462 1/20 0.44
BLM P54132 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
FFAR1 O14842 1/20 0.44
SLC7A5 Q01650 1/20 0.44

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
SCHEMBL6177284 0.85 GABBR2 (0.56) ESR1ESR2GABBR2GABBR1SLC7A5
SCHEMBL6178799 0.85 GABBR2 (0.56) ESR1ESR2GABBR2GABBR1SLC7A5
SCHEMBL6177276 0.85 GABBR2 (0.56) ESR1ESR2GABBR2GABBR1SLC7A5
SCHEMBL27582759 0.84 ESR1 (0.51) ESR1ESR2FFAR1SLC7A5FNTA
SCHEMBL6180314 0.84 ESR1 (0.51) ESR1ESR2GABBR2GABBR1LMNA
SCHEMBL27535182 0.84 ESR1 (0.52) ESR1ESR2GAAMAPTCRHBP
SCHEMBL6490172 0.81 ESR1 (0.49) ESR1ESR2FFAR1FNTAFNTB
SCHEMBL11229344 0.79 GABBR2 (0.53) ESR1ESR2GABBR2GABBR1LMNA
SCHEMBL11829029 0.77 PTGS1 (0.47) ESR1LMNACYP2C9NFKB1BLM
SCHEMBL3665382 0.77 FOLH1 (0.47) ESR1ESR2GABBR2GABBR1LMNA

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-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 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-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR ESR1 733/4885ESR2 203/4885GABBR2 1280/4885

“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.