SCHEMBL3339746

SCHEMBL3339746

COCCOCOc1ccc(CCO)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ATM Q13315 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CALM1 P0DP23 3/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
STAT3 P40763 1/20 0.42
POLB P06746 2/20 0.42
CYP19A1 P11511 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.41
CA2 P00918 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41

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
SCHEMBL13250643 0.88 KCNH2 (0.51) KCNH2TMEM97SIGMAR1ATMKDM4E
SCHEMBL8866713 0.86 ATM (0.50) KCNH2TMEM97SIGMAR1ATMKDM4E
SCHEMBL3334100 0.84 RARG (0.37) ATMKDM4EMEN1KMT2ACYP1A2
SCHEMBL3332061 0.84 SMN1; SMN2 (0.44) ATMNPC1MAPTALDH1A1
SCHEMBL3337674 0.83 APP (0.43) MEN1NPC1KMT2APOLBMAPT
SCHEMBL9734561 0.82 NPC1 (0.43) MEN1NPC1KMT2AL3MBTL1POLB
SCHEMBL3637864 0.81 CA5A (0.56) KDM4EMEN1NPC1KMT2AL3MBTL1
SCHEMBL296593 0.79 ATM (0.66) ATMKDM4EKMT2ASTAT3POLB
SCHEMBL13098004 0.79 ATM (0.66) ATMKDM4EKMT2ASTAT3POLB
SCHEMBL29446268 0.79 ATM (0.66) ATMKDM4EKMT2ASTAT3POLB

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 4 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
EP-2164827-A2 NOVEL DERIVATIVES OF 3-PHENYL ACRYLIC ACID ACTIVATING PPAR-TYPE RECEPTORS, METHOD FOR PREPARING SAME AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development (FR) 2010-03-24 EP disclosed
WO-2008152334-A2 NOVEL DERIVATIVES OF 3-PHENYL ACRYLIC ACID ACTIVATING PPAR-TYPE RECEPTORS, METHOD FOR PREPARING SAME AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-18 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-20100144884-A1 NOVEL 3-PHENYL ACRYLIC ACID COMPOUND ACTIVATORS OF TYPE PPAR RECEPTORS AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF PPARG, PPARA, PPARD KCNH2 4392/4885TMEM97 1219/4885SIGMAR1 4158/4885

“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.