SCHEMBL7112064

SCHEMBL7112064

CC(C)CCCCCC1(O)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.35
LMNA P02545 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
CDC25A P30304 3/20 0.31
CDC25B P30305 3/20 0.31
MMP9 P14780 1/20 0.30

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
Oxirane SCHEMBL7121149 0.93 CETP (0.32) CETPLMNAOPRM1OPRD1OPRK1
SCHEMBL5545046 0.92 CETP (0.39) CETPLMNACDC25ACDC25B
SCHEMBL17607217 0.90 LMNA (0.39) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL17607274 0.90 LMNA (0.39) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL13814778 0.90 CETP (0.37) CETPLMNACDC25ACDC25B
SCHEMBL1153604 0.83 CETP (0.32) CETP
SCHEMBL596129 0.82 CYP2C19 (0.33) OPRM1OPRD1OPRK1OPRL1
SCHEMBL596557 0.82 CYP2C19 (0.33) OPRM1OPRD1OPRK1OPRL1
SCHEMBL17607221 0.81 LMNA (0.36) CETPLMNAOPRM1OPRD1OPRK1
SCHEMBL10271778 0.81

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030009061-A1 Process for preparing an alkylcyclohexanol alkyleneoxide adduct INOUE YOSHIHISA (JP) 2003-01-09 US disclosed
US-6437194-B2 PURITY, LOW ALKYLPHENOL OR ALKYLPHENOL ALKYLENE OXIDE ADDUCT; HYDROGENATING ALKYLENE OXIDE ALKYLPHENOL ADDUCT; HYDROGENATING AN ALKYL PHENOL, REACTING ALKYLCYCLOHEXANOL; SOLVENT-FREE, WATER, AND SATURATED HYDROCARBON AS SOLVENTS MITSUI CHEMICALS, INC. (JP) 2002-08-20 US disclosed
US-20010051752-A1 PROCESS FOR PREPARING AN ALKYLCYCLOHEXANOL ALKYLENE OXIDE ADDUCT MITSUI CHEMICALS, INC. (JP) 2001-12-13 US disclosed
EP-0945421-A1 Alkylcyclohexanol-alkylene oxide adduct and preparation process thereof Mitsui Chemicals, Inc. (JP) 1999-09-29 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 (2 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-20030009061-A1 Process for preparing an alkylcyclohexanol alkyleneoxide adduct APEX1, ATRIP, OTUB1 CETP 378/4885LMNA 1250/4885OPRM1 2666/4885
US-20010051752-A1 PROCESS FOR PREPARING AN ALKYLCYCLOHEXANOL ALKYLENE OXIDE ADDUCT APEX1, ATRIP, OTUB1 CETP 412/4885LMNA 1147/4885OPRM1 2432/4885

“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.