SCHEMBL6132327

SCHEMBL6132327

COC1(c2ccccc2)CCC2(CC1)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.47
OPRL1 P41146 3/20 0.47
OPRK1 P41145 2/20 0.47
OPRD1 P41143 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
ALOX5 P09917 7/20 0.41
SCD5 Q86SK9 1/20 0.39
POLB P06746 2/20 0.38
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.35
MMP2 P08253 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
SCHEMBL19090289 0.85 OPRM1 (0.42) OPRM1OPRL1OPRK1OPRD1L3MBTL1
SCHEMBL13876257 0.84 OPRM1 (0.59) OPRM1OPRL1OPRK1OPRD1ALOX5
SCHEMBL9035464 0.83 DRD2 (0.38) OPRM1OPRL1OPRK1OPRD1L3MBTL1
SCHEMBL13444795 0.79 ALOX5 (0.54) OPRM1OPRL1OPRK1OPRD1ALOX5
SCHEMBL3413530 0.78 ALDH1A1 (0.42) OPRM1OPRL1OPRK1OPRD1L3MBTL1
SCHEMBL17318327 0.78 L3MBTL1 (0.36) OPRM1OPRL1OPRK1OPRD1L3MBTL1
SCHEMBL10821867 0.77 OPRM1 (0.56) OPRM1OPRL1OPRK1OPRD1ALOX5
SCHEMBL14899046 0.77 OPRM1 (0.56) OPRM1OPRL1OPRK1OPRD1ALOX5
SCHEMBL15291844 0.76 HRH3 (0.36) OPRM1OPRK1OPRD1L3MBTL1GAA
SCHEMBL18778704 0.76 POLB (0.41) OPRM1OPRL1OPRK1L3MBTL1GAA

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
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

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 OPRM1 4527/4885OPRL1 4441/4885OPRK1 4660/4885

“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.