SCHEMBL10178154

SCHEMBL10178154

CC(C)CCC1(c2ccccc2F)CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ICMT O60725 6/20 0.36
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
HDAC4 P56524 1/20 0.33
CYP2A13 Q16696 1/20 0.33
ESR1 P03372 1/20 0.32
ALDH1A1 P00352 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL15042437 0.86 ESR1 (0.41) HDAC4ESR1OPRM1OPRD1OPRK1
SCHEMBL10180722 0.85 SLC6A3 (0.41) HDAC4ESR1
SCHEMBL15043680 0.83 ICMT (0.38) ICMTBACE1HDAC4CYP2A13ESR1
SCHEMBL16292042 0.76 SLC6A3 (0.47) ICMTBACE1HDAC4CYP2A13
SCHEMBL10178167 0.76 ICMT (0.43) ICMTOPRM1
SCHEMBL23511654 0.72 BACE1 (0.33) BACE1BACE2HDAC4ESR1OPRM1
SCHEMBL10181623 0.71 OPRM1 (0.40) ICMTOPRM1
SCHEMBL10178166 0.69 S1PR1 (0.42) ICMTOPRM1OPRL1
SCHEMBL15043623 0.68 ESR1 (0.44) HDAC4ESR1
SCHEMBL21399642 0.68 OPRM1 (0.37) HDAC4ESR1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822510-B2 Substituted 3-phenyl-1,2,4-Oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US disclosed
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUBIB COMPANY 2013-06-20 US disclosed
WO-2012012477-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 WO 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-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 ICMT 4727/4885BACE1 1505/4885BACE2 3077/4885

“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.