SCHEMBL3090877

SCHEMBL3090877

O=C(CCc1ccccc1O)CC(O)Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.72
TRPV1 Q8NER1 6/20 0.68
POLB P06746 2/20 0.48
GAA P10253 1/20 0.48
AKR1B1 P15121 1/20 0.42
MPO P05164 1/20 0.42
MAPK1 P28482 1/20 0.41
IAPP P10997 1/20 0.41
DPP4 P27487 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
SCHEMBL3098163 0.89 TRPV1 (0.58) TRPA1TRPV1POLBGAAMPO
SCHEMBL3103285 0.84 TRPA1 (1.00) TRPA1TRPV1POLBGAA
SCHEMBL3098651 0.81 TRPV1 (1.00) TRPA1TRPV1POLBGAADPP4
SCHEMBL3094426 0.81 TRPV1 (1.00) TRPA1TRPV1POLBGAADPP4
SCHEMBL7575673 0.79 TRPA1 (0.76) TRPA1TRPV1POLB
SCHEMBL3089814 0.78 TRPA1 (0.81) TRPA1TRPV1MAPK1
SCHEMBL11751573 0.77 IAPP (0.59) AKR1B1MPOIAPP
SCHEMBL3095576 0.77 TRPA1 (0.82) TRPA1TRPV1POLBGAA
SCHEMBL3085102 0.75 TRPV1 (0.84) TRPA1TRPV1DPP4
SCHEMBL3103159 0.75 TRPV1 (0.84) TRPA1TRPV1DPP4

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 TRPA1 4348/4885TRPV1 3501/4885POLB 3012/4885

“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.