SCHEMBL7796017

SCHEMBL7796017

Nc1ccc2c(c1)CCC(CC(=O)O)C2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.55
ITGB3 P05106 8/20 0.55
ITGA2B P08514 8/20 0.55
MCHR1 Q99705 5/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GRIN2B Q13224 1/20 0.43
FFAR1 O14842 1/20 0.40
BRD4 O60885 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL7316308 0.94 ITGB3 (0.55) DGAT1ITGB3ITGA2BMCHR1ALDH1A1
SCHEMBL17551972 0.89 DGAT1 (0.67) DGAT1ITGB3ITGA2BMCHR1ALDH1A1
SCHEMBL6673906 0.87 ITGB3 (0.41) DGAT1ITGB3ITGA2BALDH1A1FFAR1
SCHEMBL3449865 0.83 DGAT1 (0.56) DGAT1ITGB3ITGA2BALDH1A1POLB
SCHEMBL4623171 0.83 DGAT1 (0.56) DGAT1ITGB3ITGA2BALDH1A1POLB
SCHEMBL7788810 0.82 ITGB3 (0.58) DGAT1ITGB3ITGA2BMCHR1ALDH1A1
SCHEMBL29113472 0.81 MCHR1 (0.42) DGAT1ITGB3ITGA2BMCHR1FFAR1
SCHEMBL7292707 0.79 DGAT1 (0.58) DGAT1ITGB3ITGA2BALDH1A1POLB
SCHEMBL3406500 0.79 DGAT1 (0.58) DGAT1ITGB3ITGA2BALDH1A1POLB
SCHEMBL7304447 0.79 DGAT1 (0.58) DGAT1ITGB3ITGA2BALDH1A1POLB

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-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-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
EP-0906103-A4 1999-04-07 EP disclosed
CN-1209063-A Vitronection receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-02-24 CN disclosed
CN-1209060-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1999-02-24 CN 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 DGAT1 4449/4885ITGB3 132/4885ITGA2B 106/4885

“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.