SCHEMBL6132219

SCHEMBL6132219

COC1(c2ccccc2)CCC(=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX5 P09917 1/20 0.52
OPRM1 P35372 4/20 0.50
OPRL1 P41146 4/20 0.50
OPRK1 P41145 2/20 0.50
OPRD1 P41143 1/20 0.50
KCNA3 P22001 4/20 0.42
HSD11B1 P28845 2/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
SCD5 Q86SK9 1/20 0.40
HTR7 P34969 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL13876257 0.83 OPRM1 (0.59) ALOX5OPRM1OPRL1OPRK1OPRD1
SCHEMBL11796449 0.83 ALOX5 (0.42) MEN1KMT2ACYP2C9ALOX5OPRM1
SCHEMBL11799202 0.81 DRD2 (0.41) MEN1KMT2ACYP2C9ALOX5OPRM1
SCHEMBL6889536 0.81 LIPG (0.42) MEN1KMT2ACYP2C9ALOX5OPRM1
SCHEMBL11803104 0.81 ALOX5 (0.53) MEN1KMT2ACYP2C9ALOX5OPRM1
SCHEMBL11802151 0.80 ALOX5 (0.52) MEN1KMT2ACYP2C9ALOX5KCNA3
SCHEMBL10821867 0.79 OPRM1 (0.56) ALOX5OPRM1OPRL1OPRK1OPRD1
SCHEMBL14899046 0.79 OPRM1 (0.56) ALOX5OPRM1OPRL1OPRK1OPRD1
SCHEMBL11800670 0.79 ALOX5 (0.42) MEN1KMT2ACYP2C9ALOX5OPRM1
SCHEMBL11800757 0.79 ALOX5 (0.48) MEN1KMT2ACYP2C9ALOX5OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017116213-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING SAME 주식회사 동진쎄미켐 2017-07-06 WO disclosed
US-6884774-B2 Cyclic hexapeptide derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-26 US disclosed
EP-1259535-B1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-04-13 EP disclosed
US-20030083238-A1 Cyclic hexapeptide derivatives ASTELLAS PHARMA INC. (JP) 2003-05-01 US disclosed
EP-1259535-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP disclosed
WO-2001060846-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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-20030083238-A1 Cyclic hexapeptide derivatives NGLY1, ALG1, CHIT1 MEN1 1517/4885KMT2A 4695/4885CYP2C9 3770/4885

“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.