SCHEMBL6320155

SCHEMBL6320155

COc1ccc(C2CC2CC(=O)O)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.49
ITGAV P06756 1/20 0.49
ITGB6 P18564 1/20 0.49
HTR2A P28223 9/20 0.43
FFAR1 O14842 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR2C P28335 11/20 0.41
HTR2B P41595 8/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
PDE5A O76074 1/20 0.40
CA12 O43570 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
SCHEMBL6327503 0.82 HTR2C (0.42) HTR2AHTR2CHTR2B
SCHEMBL6326980 0.80 ITGB3 (0.43) ITGB3ITGAVITGB6HTR2AHTR2C
SCHEMBL15669519 0.77 KDM1A (0.57) ITGB3ITGAVITGB6HTR2AFFAR1
SCHEMBL2432912 0.77 FFAR1 (0.53) HTR2AFFAR1HTR2CHTR2B
SCHEMBL27404166 0.77 HTR2C (0.60) ITGB3ITGAVITGB6HTR2AHTR2C
SCHEMBL6319047 0.74 CA1 (0.48) ITGB3ITGAVITGB6CA1CA2
SCHEMBL6319144 0.74 KDM1A (0.36) HTR2AFFAR1HTR2CHTR2BMRGPRX4
SCHEMBL28037017 0.72 KDM1A (0.56) HTR2AHTR2CHTR2B
SCHEMBL15669104 0.71 KDM1A (0.50) ITGB3ITGAVITGB6HTR2AFFAR1
SCHEMBL6321347 0.70 EPHX2 (0.39) HTR2AFFAR1HTR2CHTR2BMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US disclosed
US-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US disclosed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US disclosed
EP-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 US disclosed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 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 (2 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-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 ITGB3 4458/4885ITGAV 4392/4885ITGB6 4730/4885
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 ITGB3 3/4885ITGAV 6/4885ITGB6 14/4885

“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.