SCHEMBL4450078

SCHEMBL4450078

Cc1ccc(C2(C)CC(C)CC(C)C2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.47
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 3/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GLA P06280 1/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MGAT2 Q10469 1/20 0.31
HTT P42858 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
SCHEMBL4438908 0.78 CCR2 (0.43) CCR2CYP2C19ALDH1A1TP53HPGD
SCHEMBL4450387 0.74 CCR2 (0.40) CCR2CYP2C19ESR1ESR2
SCHEMBL9154890 0.70
SCHEMBL4451619 0.70 CCR2 (0.40) CCR2CYP2C19ALDH1A1TP53HPGD
SCHEMBL4442488 0.70 CCR2 (0.43) CCR2CYP2C19ALDH1A1TP53HPGD
SCHEMBL9066039 0.68 ESR1 (0.59) CCR2CYP2C19ALDH1A1TP53HPGD
SCHEMBL9159353 0.67
SCHEMBL11550837 0.67 MEN1 (0.44) ALDH1A1ESR1MEN1KMT2AHTT
SCHEMBL14541920 0.64 CCR2 (0.46) CCR2ESR1ESR2KMT2A
SCHEMBL25583946 0.64 MAOB (0.47) CCR2CYP2C19ALDH1A1CYP3A4ESR1

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 936/4885ALDH1A1 1006/4885

“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.