SCHEMBL3085102

SCHEMBL3085102

O=C(CCCc1ccccc1)CC(O)Cc1ccc(O)cc1

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.84
TRPA1 O75762 3/20 0.70
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
PLAAT3 P53816 1/20 0.50
PLAAT5 Q96KN8 1/20 0.50
PLAAT2 Q9NWW9 1/20 0.50
PLAAT4 Q9UL19 1/20 0.50
DPP4 P27487 2/20 0.49
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL3103159 1.00 TRPV1 (0.84) TRPV1TRPA1OPRM1OPRD1OPRK1
2-Hydroxy-1,7-Di-(4-Hydroxy-Phenyl)-Heptan-4-One (Enantiomeric Mix) SCHEMBL3105208 0.94 TRPV1 (0.73) TRPV1TRPA1OPRM1OPRD1OPRK1
SCHEMBL3089814 0.93 TRPA1 (0.81) TRPV1TRPA1
SCHEMBL3094426 0.91 TRPV1 (1.00) TRPV1TRPA1DPP4
SCHEMBL3098651 0.91 TRPV1 (1.00) TRPV1TRPA1DPP4
SCHEMBL3100461 0.85 TRPV1 (0.63) TRPV1TRPA1
SCHEMBL3103285 0.83 TRPA1 (1.00) TRPV1TRPA1
1-Hydroxy-6-(4-Hydroxy-Phenyl)-1-Phenyl-Hexan-3-One (Enantiomeric Mix) SCHEMBL3098019 0.81 TRPV1 (0.58) TRPV1TRPA1OPRM1OPRD1OPRK1
SCHEMBL3095508 0.80 TRPA1 (0.72) TRPV1TRPA1DPP4
SCHEMBL27687808 0.79 TRPV1 (0.80) TRPV1TRPA1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249243-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-09-30 US disclosed
US-20100249243-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-09-30 US disclosed
US-20100249243-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA 2010-09-30 US disclosed
EP-2227449-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY Pulkkinen, Juha (FI) 2010-09-15 EP disclosed
WO-2009066008-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY PULKKINEN JUHA (FI) 2009-05-28 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-20100249243-A1 NOVEL BETA-HYDROXYKETONES AND BETA-ALKOXYKETONES WITH ESTROGENIC ACTIVITY HSD17B11, HSD17B7, CYP19A1 TRPV1 3501/4885TRPA1 4348/4885OPRM1 998/4885

“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.