SCHEMBL18737720

SCHEMBL18737720

CNC(Cc1ccc(O)cc1C)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.46
ESR1 P03372 2/20 0.46
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44
HSD17B1 P14061 1/20 0.40
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.36
AIMP2 Q13155 1/20 0.35
PSMB5 P28074 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL13026905 0.83 CHRNA7 (0.41) ESR2ESR1
SCHEMBL19790112 0.81 PPARG (0.44) PSMB5
SCHEMBL8301882 0.79 OPRM1 (0.39) OPRM1OPRK1CYP3A4
SCHEMBL16870511 0.79 ALDH1A1 (0.42) CYP3A4
SCHEMBL13282134 0.79 OPRM1 (0.39) OPRM1OPRK1CYP3A4
SCHEMBL15179215 0.79 ALDH1A1 (0.42) CYP3A4
SCHEMBL27798365 0.78 ESR2 (0.46) ESR2ESR1NR3C1PGRNR3C2
SCHEMBL14942927 0.75 ESR1 (0.56) ESR2ESR1OPRM1OPRK1
SCHEMBL7637685 0.75 ESR1 (0.56) ESR2ESR1OPRM1OPRK1
SCHEMBL8231892 0.75 ESR1 (0.56) ESR2ESR1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170101438-A1 COSMETIC OR PHARMACEUTICAL METHODS FOR THE TREATMENT AND/OR CARE OF THE SKIN AND/OR HAIR USING TRIPEPTIDES CAPABLE OF STIMULATING CYCLIC ADENOSINE MONOPHOSPHATE SYNTHESIS LIPOTEC, S.A. 2017-04-13 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-20170101438-A1 COSMETIC OR PHARMACEUTICAL METHODS FOR THE TREATMENT AND/OR CARE OF THE SKIN AND/OR HAIR USING TRIPEPTIDES CAPABLE OF STIMULATING CYCLIC ADENOSINE MONOPHOSPHATE SYNTHESIS MC1R, ADORA3, AMPD3 ESR2 3886/4885ESR1 4564/4885NR3C1 1204/4885

“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.