SCHEMBL3103285

SCHEMBL3103285

O=C(CCc1ccccc1)CC(O)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 1.00
TRPV1 Q8NER1 6/20 0.85
KEAP1 Q14145 1/20 0.57
FFAR1 O14842 1/20 0.53
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 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
SCHEMBL3094426 0.92 TRPV1 (1.00) TRPA1TRPV1KEAP1FFAR1POLB
SCHEMBL3098651 0.92 TRPV1 (1.00) TRPA1TRPV1KEAP1FFAR1POLB
SCHEMBL3095576 0.91 TRPA1 (0.82) TRPA1TRPV1KEAP1FFAR1POLB
SCHEMBL3089814 0.90 TRPA1 (0.81) TRPA1TRPV1KEAP1TDP1HDAC2
SCHEMBL3094991 0.87 TRPA1 (0.76) TRPA1TRPV1FFAR1POLBGAA
SCHEMBL7575673 0.87 TRPA1 (0.76) TRPA1TRPV1POLB
SCHEMBL27614757 0.86 TRPA1 (0.77) TRPA1TRPV1KEAP1POLBGAA
SCHEMBL31272029 0.86 TRPA1 (0.77) TRPA1TRPV1KEAP1POLBGAA
SCHEMBL28318045 0.86 TRPA1 (0.77) TRPA1TRPV1KEAP1POLBGAA
SCHEMBL3094383 0.85 TRPA1 (0.73) TRPA1TRPV1FFAR1POLBGAA

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 3501/4885KEAP1 654/4885

“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.