SCHEMBL4450387

SCHEMBL4450387

Cc1ccc(C2(C)CCC(C)C(C)C2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.40
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31

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
SCHEMBL4452672 0.83
SCHEMBL4438908 0.81 CCR2 (0.43) CCR2CYP2C19LMNAESR1ESR2
SCHEMBL4442803 0.77 CCR2 (0.36) CCR2
SCHEMBL4450078 0.74 CCR2 (0.47) CCR2CYP2C19ESR1ESR2
SCHEMBL4452121 0.67 SLC6A4 (0.38) CCR2CYP2C19ESR1ESR2
SCHEMBL4451619 0.67 CCR2 (0.40) CCR2CYP2C19LMNAESR1ESR2
SCHEMBL4442488 0.67 CCR2 (0.43) CCR2CYP2C19
SCHEMBL9066385 0.64 ACHE (0.53) ESR1ESR2
SCHEMBL24425967 0.62 CYP2C19 (0.40) CCR2CYP2C19LMNAESR1ESR2
SCHEMBL11802262 0.62 SLC6A4 (0.37) CCR2CYP2C19ESR1ESR2

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
US-20090299111-A1 (ALKYLPHENYL) ALKYLCYCLOHEXANE AND METHOD FOR PRODUCING (ALKYLPHENYL) ALKYLCYCLOHEXANE OR ALKYLBIPHENYL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-12-03 US claimed
EP-1908743-A1 (ALKYLPHENYL)ALKYLCYCLOHEXANE AND METHOD FOR PRODUCING (ALKYLPHENYL)ALKYLCYCLOHEXANE OR ALKYLBIPHENYL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-04-09 EP claimed
US-20090299111-A1 (ALKYLPHENYL) ALKYLCYCLOHEXANE AND METHOD FOR PRODUCING (ALKYLPHENYL) ALKYLCYCLOHEXANE OR ALKYLBIPHENYL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-12-03 US disclosed
EP-1908743-A1 (ALKYLPHENYL)ALKYLCYCLOHEXANE AND METHOD FOR PRODUCING (ALKYLPHENYL)ALKYLCYCLOHEXANE OR ALKYLBIPHENYL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-04-09 EP 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-20090299111-A1 (ALKYLPHENYL) ALKYLCYCLOHEXANE AND METHOD FOR PRODUCING (ALKYLPHENYL) ALKYLCYCLOHEXANE OR ALKYLBIPHENYL CCNA2, ACACB, PARP8 CCR2 323/4885CYP2C19 936/4885LMNA 260/4885

“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.