SCHEMBL3095576

SCHEMBL3095576

O=C(CCc1ccccc1)CC(O)Cc1ccc(F)cc1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.82
TRPV1 Q8NER1 4/20 0.76
PLAAT3 P53816 1/20 0.49
PLAAT5 Q96KN8 1/20 0.49
PLAAT2 Q9NWW9 1/20 0.49
PLAAT4 Q9UL19 1/20 0.49
FFAR1 O14842 2/20 0.49
GAA P10253 2/20 0.48
POLB P06746 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
KEAP1 Q14145 1/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL3103285 0.91 TRPA1 (1.00) TRPA1TRPV1FFAR1GAAPOLB
SCHEMBL3098050 0.88 TRPV1 (0.76) TRPA1TRPV1FFAR1GAAPOLB
SCHEMBL3098651 0.87 TRPV1 (1.00) TRPA1TRPV1FFAR1GAAPOLB
SCHEMBL3094426 0.87 TRPV1 (1.00) TRPA1TRPV1FFAR1GAAPOLB
SCHEMBL3098163 0.83 TRPV1 (0.58) TRPA1TRPV1FFAR1GAAPOLB
SCHEMBL3094991 0.82 TRPA1 (0.76) TRPA1TRPV1PLAAT3PLAAT5PLAAT2
SCHEMBL3089814 0.81 TRPA1 (0.81) TRPA1TRPV1PPARGPPARAKEAP1
SCHEMBL3098634 0.81 TRPA1 (0.54) TRPA1TRPV1PLAAT3PLAAT5PLAAT2
SCHEMBL3094383 0.80 TRPA1 (0.73) TRPA1TRPV1FFAR1GAAPOLB
SCHEMBL15944372 0.80 TRPA1 (0.73) TRPA1TRPV1FFAR1GAAPOLB

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 3501/4885PLAAT3 1705/4885

“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.