SCHEMBL3337674

SCHEMBL3337674

COCCOCOc1ccc(CCOC(C)=O)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.43
TNKS2 Q9H2K2 1/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
F2 P00734 1/20 0.41
ELANE P08246 1/20 0.41
PTGS1 P23219 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
POLB P06746 1/20 0.40
MET P08581 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
SCHEMBL27806086 0.84 APP (0.55) APPTNKS2ALDH1A1PTGS1CA12
SCHEMBL3339746 0.83 KCNH2 (0.44) ALDH1A1MAPTKMT2ANPC1MEN1
SCHEMBL3637864 0.81 CA5A (0.56) ALDH1A1MAPTKMT2ANPC1MEN1
SCHEMBL10732455 0.77 LDHA (0.53) ALDH1A1SMN1; SMN2F2ELANE
SCHEMBL29962712 0.76 APP (0.46) APPTNKS2ALDH1A1SMN1; SMN2MAPT
SCHEMBL12117363 0.76 TNKS2 (0.50) APPTNKS2ALDH1A1SMN1; SMN2MTNR1A
SCHEMBL3337936 0.76 MET (0.64) APPTNKS2ALDH1A1MTNR1AMTNR1B
SCHEMBL29962386 0.76 MET (0.64) APPTNKS2ALDH1A1MTNR1AMTNR1B
SCHEMBL3335702 0.75 ATM (0.46) ALDH1A1SMN1; SMN2MAPTKMT2ANPC1
SCHEMBL3332850 0.75 LMNA (0.44) ALDH1A1SMN1; SMN2RAB9ALMNAEGFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404836-B2 3-phenyl acrylic acid compound activators of type PPAR receptors and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-03-26 US disclosed
US-20100144884-A1 NOVEL 3-PHENYL ACRYLIC ACID COMPOUND ACTIVATORS OF TYPE PPAR RECEPTORS AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-06-10 US 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-20100144884-A1 NOVEL 3-PHENYL ACRYLIC ACID COMPOUND ACTIVATORS OF TYPE PPAR RECEPTORS AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF PPARG, PPARA, PPARD APP 2482/4885TNKS2 3447/4885ALDH1A1 372/4885

“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.