SCHEMBL3098050

SCHEMBL3098050

O=C(CCc1ccc(O)cc1)CC(O)Cc1ccc(F)cc1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.76
TRPA1 O75762 3/20 0.63
SLC5A1 P13866 1/20 0.46
SLC5A2 P31639 1/20 0.46
FFAR1 O14842 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3095576 0.88 TRPA1 (0.82) TRPV1TRPA1FFAR1POLBGAA
SCHEMBL3094426 0.87 TRPV1 (1.00) TRPV1TRPA1FFAR1POLBGAA
SCHEMBL3098651 0.87 TRPV1 (1.00) TRPV1TRPA1FFAR1POLBGAA
2-Hydroxy-1,7-Di-(4-Hydroxy-Phenyl)-Heptan-4-One (Enantiomeric Mix) SCHEMBL3105208 0.83 TRPV1 (0.73) TRPV1TRPA1OPRM1OPRD1OPRK1
SCHEMBL3098163 0.81 TRPV1 (0.58) TRPV1TRPA1FFAR1POLBGAA
Platyphyllone SCHEMBL1891159 0.80 TRPV1 (0.73) TRPV1TRPA1POLBGAA
Platyphyllone SCHEMBL12659723 0.80 TRPV1 (0.73) TRPV1TRPA1POLBGAA
SCHEMBL3085102 0.78 TRPV1 (0.84) TRPV1TRPA1OPRM1OPRD1OPRK1
SCHEMBL3103159 0.78 TRPV1 (0.84) TRPV1TRPA1OPRM1OPRD1OPRK1
SCHEMBL3103285 0.78 TRPA1 (1.00) TRPV1TRPA1FFAR1POLBGAA

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
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
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 4348/4885SLC5A1 1474/4885

“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.