SCHEMBL6327503

SCHEMBL6327503

COc1ccc(C2CC2CC=O)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 0.42
HTR2A P28223 15/20 0.42
HTR2B P41595 10/20 0.42
KCNH2 Q12809 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
SCHEMBL6320155 0.82 ITGB3 (0.49) HTR2CHTR2AHTR2B
SCHEMBL6319144 0.78 KDM1A (0.36) HTR2CHTR2AHTR2BKCNH2
SCHEMBL6319899 0.74 PDE4A (0.47)
SCHEMBL28037017 0.73 KDM1A (0.56) HTR2CHTR2AHTR2BKCNH2
SCHEMBL15669104 0.70 KDM1A (0.50) HTR2CHTR2AHTR2B
SCHEMBL2545568 0.69 USP30 (0.37) HTR2AHTR2B
SCHEMBL2545570 0.69 USP30 (0.37) HTR2AHTR2B
SCHEMBL6251810 0.68 HTR2C (0.61) HTR2CHTR2AHTR2B
SCHEMBL2540282 0.68 USP30 (0.35) HTR2C
SCHEMBL2540281 0.68 USP30 (0.35) HTR2C

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 2 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-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 US 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-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 HTR2C 2450/4885HTR2A 2084/4885HTR2B 1554/4885

“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.