SCHEMBL13168752

SCHEMBL13168752

CCCC[C@@]1(O)CCC(C)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 3/20 0.37
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
LTB4R Q15722 1/20 0.33
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
PRKCA P17252 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 2/20 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
SCHEMBL8074193 0.88 OPRM1 (0.39) HSD17B3OPRM1OPRD1OPRK1OPRL1
SCHEMBL13213903 0.80 OPRM1 (0.42) HSD17B3OPRM1OPRD1OPRK1OPRL1
SCHEMBL13168808 0.80 HSD17B3 (0.40) HSD17B3OPRM1OPRD1OPRK1OPRL1
SCHEMBL17610179 0.78 CYP1A2 (0.32) CYP1A2
SCHEMBL7097788 0.76 CYP1A2 (0.42) HSD17B3LTB4RCNR1CNR2CYP1A2
SCHEMBL27782291 0.75 OPRM1 (0.39) HSD17B3OPRM1OPRD1OPRK1OPRL1
SCHEMBL7732887 0.74 SLC6A4 (0.33) HSD17B3
SCHEMBL21134598 0.74 SLC6A4 (0.33) HSD17B3
SCHEMBL21134592 0.74 SLC6A4 (0.33) HSD17B3
SCHEMBL13924884 0.74

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-8318804-B2 Antiviral activity of cyclopentene nitro-ester and derivatives UNIVERSITY OF SOUTH FLORIDA (US) 2012-11-27 US disclosed
US-20100249230-A1 ANTIVIRAL ACTIVITY OF CYCLOPENTENE NITRO-ESTER AND DERIVATIVES UNIVERSITY OF SOUTH FLORIDA (US) 2010-09-30 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-20100249230-A1 ANTIVIRAL ACTIVITY OF CYCLOPENTENE NITRO-ESTER AND DERIVATIVES CYP51A1, CES2, DDT HSD17B3 699/4885OPRM1 782/4885OPRD1 196/4885

“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.