SCHEMBL4451619

SCHEMBL4451619

Cc1ccc(C2(C)CCC(C)CC2C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.40
CYP2C19 P33261 1/20 0.36
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 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
SCHEMBL4452121 0.80 SLC6A4 (0.38) CCR2CYP2C19ESR1ESR2
SCHEMBL4438908 0.77 CCR2 (0.43) CCR2CYP2C19ALDH1A1TP53HPGD
SCHEMBL4442488 0.77 CCR2 (0.43) CCR2CYP2C19OPRM1OPRK1ALDH1A1
SCHEMBL4450078 0.70 CCR2 (0.47) CCR2CYP2C19ALDH1A1TP53HPGD
SCHEMBL15011538 0.69 OPRM1 (0.43) CCR2CYP2C19OPRM1OPRK1
SCHEMBL21023363 0.68 SLC6A3 (0.43) CYP2C19
SCHEMBL4450387 0.67 CCR2 (0.40) CCR2CYP2C19LMNAESR1ESR2
SCHEMBL15010304 0.66 CCR2 (0.37) CCR2CYP2C19OPRM1OPRK1
SCHEMBL14248553 0.65 CCR2 (0.37) CCR2CYP2C19ALDH1A1LMNAESR1
SCHEMBL14248637 0.64 CCR2 (0.36) 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 2 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 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 936/4885OPRM1 4167/4885

“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.