SCHEMBL3100461

SCHEMBL3100461

O=C(CCCc1ccc(O)c(O)c1)CC(O)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.63
TRPA1 O75762 3/20 0.61
IGF1R P08069 2/20 0.55
ALOX15 P16050 2/20 0.55
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
IAPP P10997 1/20 0.48
APP P05067 1/20 0.47
KDM6B O15054 1/20 0.46
ALOX5 P09917 1/20 0.45
ACHE P22303 1/20 0.45
SGMS1 Q86VZ5 1/20 0.45
SGMS2 Q8NHU3 1/20 0.45

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
SCHEMBL3089814 0.86 TRPA1 (0.81) TRPV1TRPA1
SCHEMBL3085102 0.85 TRPV1 (0.84) TRPV1TRPA1
SCHEMBL3103159 0.85 TRPV1 (0.84) TRPV1TRPA1
SCHEMBL28104562 0.80 POLB (0.74) TRPV1TRPA1IGF1RALOX15POLB
2-Hydroxy-1,7-Di-(4-Hydroxy-Phenyl)-Heptan-4-One (Enantiomeric Mix) SCHEMBL3105208 0.79 TRPV1 (0.73) TRPV1TRPA1ACHESGMS1SGMS2
SCHEMBL3103285 0.77 TRPA1 (1.00) TRPV1TRPA1POLBGAA
SCHEMBL3094426 0.76 TRPV1 (1.00) TRPV1TRPA1POLBGAA
SCHEMBL3098651 0.76 TRPV1 (1.00) TRPV1TRPA1POLBGAA
SCHEMBL3090877 0.75 TRPA1 (0.72) TRPV1TRPA1POLBGAAIAPP
Hirsutanonol SCHEMBL1816532 0.75 POLB (0.63) TRPV1TRPA1POLBGAAIAPP

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 4348/4885IGF1R 657/4885

“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.