SCHEMBL4442931

SCHEMBL4442931

Cc1cccc(C2(C)CCC(C)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.44
CHRNA1 P02708 1/20 0.44
CHRNG P07510 1/20 0.44
CHRNB1 P11230 1/20 0.44
CHRNB2 P17787 1/20 0.44
SLC6A2 P23975 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CHRND Q07001 1/20 0.44
HTR2C P28335 4/20 0.40
HDAC4 P56524 1/20 0.40
HTR2A P28223 1/20 0.40
OPRD1 P41143 3/20 0.39
ACHE P22303 1/20 0.38
OPRM1 P35372 2/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
LMNA P02545 1/20 0.34

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
SCHEMBL8766953 0.84 CCR2 (0.42) CCR2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4444189 0.81 OPRM1 (0.39) CCR2OPRM1
SCHEMBL16029802 0.79 HDAC4 (0.50) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL4442529 0.77 MAOB (0.39) CCR2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL12638640 0.76 ICMT (0.47) CCR2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4438908 0.76 CCR2 (0.43) CCR2HTR2CHTR2AOPRD1LMNA
SCHEMBL23714594 0.72 CHRNA1 (0.47) CCR2CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL4452328 0.72 THRB (0.31)
SCHEMBL17028535 0.69 ACHE (0.48) CCR2CHRNA1CHRNGCHRNB1CHRNB2
M-Xylene SCHEMBL28800022 0.69 ACHE (0.55) SLC6A2SLC6A3HTR2CACHELMNA

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 323/4885CHRNA1 1672/4885CHRNG 1661/4885

“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.