SCHEMBL7795997

SCHEMBL7795997

CC(C(=O)O)C1Cc2cc(C(=O)O)ccc2O1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
ALDH1A1 P00352 3/20 0.41
POLB P06746 3/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
MAPK1 P28482 1/20 0.41
MCL1 Q07820 2/20 0.37
SRD5A1 P18405 2/20 0.37
SRD5A2 P31213 2/20 0.37
RXRA P19793 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
NR4A1 P22736 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MAPT P10636 1/20 0.35
CA4 P22748 1/20 0.35

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
SCHEMBL16742094 0.88 TDP1 (0.66) TDP1ALDH1A1POLBAPEX1RECQL
SCHEMBL7798232 0.84 TDP1 (0.42) TDP1ALDH1A1KDM4EGAAHSD17B10
SCHEMBL7788801 0.83 TDP1 (0.41) TDP1ALDH1A1POLBAPEX1RECQL
SCHEMBL7270775 0.79 HPGD (0.42) MAPT
SCHEMBL8131639 0.78 TDP1 (0.56) TDP1ALDH1A1POLBAPEX1RECQL
SCHEMBL8690783 0.77 TDP1 (1.00) TDP1ALDH1A1POLBAPEX1RECQL
SCHEMBL22662965 0.77 TDP1 (0.55) TDP1ALDH1A1POLBAPEX1RECQL
SCHEMBL7795628 0.76 CXCR2 (0.39) TDP1PTGS2
SCHEMBL16742113 0.74 TDP1 (0.66) TDP1ALDH1A1POLBAPEX1RECQL
SCHEMBL8131638 0.72 TDP1 (0.56) TDP1ALDH1A1POLBAPEX1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 US disclosed
US-6159964-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-12-12 US disclosed
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 EP disclosed
EP-0906103-A4 1999-04-07 EP disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 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-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL TDP1 4495/4885ALDH1A1 2598/4885POLB 3939/4885

“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.