SCHEMBL4438908

SCHEMBL4438908

Cc1ccc(C2(C)CCC(C)CC2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.43
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
THRB P10828 1/20 0.35
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
MGAT2 Q10469 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
SCHEMBL4452328 0.81 THRB (0.31) THRB
SCHEMBL4450387 0.81 CCR2 (0.40) CCR2CYP2C19ESR1ESR2LMNA
SCHEMBL4442529 0.79 MAOB (0.39) CCR2KMT2ATHRBMAPTNPSR1
SCHEMBL4450078 0.78 CCR2 (0.47) CCR2CYP2C19ALDH1A1TP53HPGD
SCHEMBL4451619 0.77 CCR2 (0.40) CCR2CYP2C19ALDH1A1TP53HPGD
SCHEMBL4442931 0.76 CCR2 (0.44) CCR2MEN1KMT2ALMNANPSR1
SCHEMBL4444189 0.75 OPRM1 (0.39) CCR2THRB
SCHEMBL27694968 0.73 ESR2 (0.52) CYP2C19ALDH1A1HPGDESR1ESR2
SCHEMBL6848489 0.71 HIF1A (0.37) CYP2C19TP53HPGDMEN1KMT2A
SCHEMBL4438936 0.70 MCOLN3 (0.41) CCR2ALDH1A1HPGDLMNAMAPT

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.