SCHEMBL4442961

SCHEMBL4442961

CCCc1ccc(C2(C)CCC(C)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.38
LIPG Q9Y5X9 2/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
KCNH2 Q12809 1/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
SPHK1 Q9NYA1 2/20 0.33
ACHE P22303 1/20 0.33
CA2 P00918 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
NISCH Q9Y2I1 1/20 0.32

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
SCHEMBL4444659 0.86 HRH3 (0.37) OPRM1OPRD1OPRK1OPRL1HRH3
SCHEMBL27709196 0.81 HRH3 (0.35) HRH3
SCHEMBL18854354 0.81 HRH3 (0.33) HRH3KCNH2
SCHEMBL11805808 0.80 LPL (0.41) LPLLIPGOPRM1OPRD1OPRK1
SCHEMBL4442529 0.76 MAOB (0.39) KCNH2MAOAMAOBACHE
SCHEMBL27694968 0.74 ESR2 (0.52)
SCHEMBL4438936 0.71 MCOLN3 (0.41)
SCHEMBL11077672 0.69 OPRL1 (0.52) LPLLIPGOPRM1OPRD1OPRK1
SCHEMBL11287625 0.69 SPHK1 (0.50) HRH3SPHK1
SCHEMBL8766871 0.69 DRD2 (0.41) OPRM1OPRD1OPRK1HRH3ACHE

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 LPL 3923/4885LIPG 4176/4885OPRM1 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.