SCHEMBL6326792

SCHEMBL6326792

CC1(c2ccc(O)cc2)CC1CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
OPRM1 P35372 6/20 0.40
ESR2 Q92731 4/20 0.38
ESR1 P03372 3/20 0.38
MIF P14174 1/20 0.37
GRM2 Q14416 2/20 0.37
GRM5 P41594 1/20 0.37
GRM1 Q13255 1/20 0.37
CA2 P00918 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL6325366 0.83 ITGB3 (0.50) ITGB3ITGAVMIFCA2ALDH1A1
SCHEMBL6251346 0.78 MIF (0.35) ESR2ESR1MIFGRM2GRM5
SCHEMBL16084399 0.67
SCHEMBL10924973 0.67
SCHEMBL27720009 0.67 KMT2A (0.40) ALDH1A1
SCHEMBL24060778 0.66 OPRM1 (0.37) OPRM1ESR2ESR1MMP2MMP9
SCHEMBL12511520 0.65 OPRM1 (0.46) OPRM1
SCHEMBL6319856 0.64 ITGB3 (0.42) ITGB3ITGAVESR2ESR1MIF
SCHEMBL6326443 0.64 ITGB3 (0.42) ITGB3ITGAVESR2ESR1MIF
SCHEMBL6321357 0.64 ITGB3 (0.42) ITGB3ITGAVESR2ESR1MIF

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 ITGB3 3/4885ITGAV 6/4885OPRM1 591/4885

“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.