SCHEMBL4444659

SCHEMBL4444659

CCc1ccc(C2(C)CCC(C)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.37
TP53 P04637 2/20 0.37
DDB1 Q16531 4/20 0.35
CRBN Q96SW2 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
GAA P10253 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL4442961 0.86 LPL (0.38) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL18571103 0.84 TP53 (0.40) TP53OPRM1OPRD1OPRK1OPRL1
SCHEMBL18854354 0.84 HRH3 (0.33) HRH3TSHR
SCHEMBL19360668 0.80 OPRM1 (0.37) TP53OPRM1OPRD1OPRK1OPRL1
SCHEMBL16593763 0.79 RAB9A (0.37) TP53OPRM1OPRD1OPRK1OPRL1
SCHEMBL4442529 0.79 MAOB (0.39) NPSR1ATM
SCHEMBL16789672 0.76 OPRL1 (0.38) TP53OPRM1OPRD1OPRK1OPRL1
SCHEMBL19194397 0.76 CCR9 (0.40) TP53NPSR1OPRM1OPRD1OPRK1
SCHEMBL4438936 0.74 MCOLN3 (0.41) DDB1CRBNL3MBTL1
SCHEMBL18291785 0.74 POLB (0.43) HRH3TP53OPRM1OPRD1OPRK1

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 HRH3 2763/4885TP53 1433/4885DDB1 1401/4885

“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.