SCHEMBL4452713

SCHEMBL4452713

Cc1ccc(C2CC(C)CCC2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC6A2 P23975 9/20 0.40
SLC6A4 P31645 9/20 0.40
SLC6A3 Q01959 9/20 0.40
FFAR1 O14842 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL18722290 0.84 HTR2A (0.43) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL3673574 0.83 HTR2A (0.52) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL28189819 0.82 ACHE (0.55) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5682494 0.82 MAOB (0.45) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL4450192 0.78 HTR2C (0.49) HTR2AHTR2CHTR2BSLC6A4SLC6A3
SCHEMBL9737051 0.78 TRPA1 (0.43) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL8498806 0.78 TRPA1 (0.43) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL21568497 0.75 GRIA4 (0.42) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL28255464 0.75 GRIA4 (0.46) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL16892913 0.75 ESR2 (0.50) HTR2AHTR2CHTR2BALDH1A1CYP1A2

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 HTR2A 2578/4885HTR2C 2280/4885HTR2B 4169/4885

“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.