SCHEMBL763887

SCHEMBL763887

CC(C)(C)OC(=O)C(CCC(=O)O)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 2/20 0.62
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
CYP1A2 P05177 1/20 0.46
FOLH1 Q04609 2/20 0.46
CPA1 P15085 2/20 0.45
CPB1 P15086 1/20 0.45
CPB2 Q96IY4 1/20 0.45
NAALAD2 Q9Y3Q0 2/20 0.45
ATM Q13315 1/20 0.44
ACE P12821 1/20 0.43
KEAP1 Q14145 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL16350132 1.00 CPA3 (0.62) CPA3ITGA4ITGB7CYP1A2FOLH1
SCHEMBL27471452 0.88 CPA3 (0.51) CPA3ITGA4ITGB7CYP1A2CPA1
SCHEMBL20168730 0.86 CPA3 (0.46) CPA3FOLH1
SCHEMBL1519540 0.85 CPA3 (0.44) CPA3
SCHEMBL1519542 0.85 CPA3 (0.44) CPA3
SCHEMBL1519833 0.85 CPA1 (0.60) CPA3ITGA4ITGB7CYP1A2CPA1
SCHEMBL1916688 0.85 CPA1 (0.60) CPA3ITGA4ITGB7CYP1A2CPA1
SCHEMBL1519838 0.85 CPA1 (0.60) CPA3ITGA4ITGB7CYP1A2CPA1
SCHEMBL20168326 0.85 SLC7A5 (0.61) CPA3FOLH1
Water SCHEMBL28198514 0.84 ITGA4 (0.45) CPA3ITGA4ITGB7CYP1A2FOLH1

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-8138145-B2 Hybrid oligomers, their preparation process and pharmaceutical compositions containing them Centre National de la Recherche Scientifique (SNRS) (FR) 2012-03-20 US disclosed
US-20100298206-A1 HYBRID OLIGOMERS, THEIR PREPARATION PROCESS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS), I.B.M.C. (FR) 2010-11-25 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-20100298206-A1 HYBRID OLIGOMERS, THEIR PREPARATION PROCESS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NOD2, NOD1, COG5 CPA3 3506/4885ITGA4 3392/4885ITGB7 2936/4885

“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.