SCHEMBL6263545

SCHEMBL6263545

COc1ccc(C2CC2CC(=O)O)cn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.51
ITGB3 P05106 5/20 0.50
ITGAV P06756 5/20 0.50
ITGB6 P18564 3/20 0.50
KDM1A O60341 4/20 0.46
ITGB1 P05556 2/20 0.44
LMNA P02545 1/20 0.44
CHRNA7 P36544 1/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 1/20 0.42
NNMT P40261 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ITGB5 P18084 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 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
SCHEMBL7886127 0.87 KDM1A (0.46) FFAR1ITGB3ITGAVITGB6KDM1A
SCHEMBL8325401 0.84 FFAR1 (0.46) FFAR1ITGB3ITGAVITGB6KDM1A
SCHEMBL6267026 0.84 FFAR1 (0.46) FFAR1ITGB3ITGAVITGB6KDM1A
SCHEMBL8335519 0.83 FFAR1 (0.44) FFAR1ITGB3ITGAVITGB6KDM1A
SCHEMBL22169320 0.81 ITGB3 (0.45) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL21847837 0.81 ITGB3 (0.45) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL18983876 0.79 CHRNA7 (0.53) FFAR1KDM1ALMNACHRNA7MAOA
SCHEMBL2435013 0.79 HTR2C (0.59) FFAR1ITGB3ITGAVITGB6KDM1A
SCHEMBL6264316 0.79 ITGB3 (0.44) FFAR1ITGB3ITGAVITGB6KDM1A
SCHEMBL20595049 0.78 KDM1A (0.45) ITGB3ITGAVITGB6KDM1AITGB1

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-1592421-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2005-11-09 EP disclosed
US-20050043344-A1 Heteroarylalkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-02-24 US disclosed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 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-20050043344-A1 Heteroarylalkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGAV, ITGA6 FFAR1 100/4885ITGB3 6/4885ITGAV 2/4885

“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.