SCHEMBL3332867

SCHEMBL3332867

COCCOCOc1ccc(COC(C)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
CTNNB1 P35222 1/20 0.46
MAOB P27338 5/20 0.43
MAPT P10636 3/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACACB O00763 1/20 0.40
MAOA P21397 1/20 0.40
CYP3A4 P08684 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
APP P05067 2/20 0.39
FFAR1 O14842 1/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL25556446 0.87 ALDH1A1 (0.55) ALDH1A1MAOBMAPTHTTNPC1
SCHEMBL16091797 0.82 ALDH1A1 (0.46) ALDH1A1MAOBMAPTSMN1; SMN2MAOA
SCHEMBL14595233 0.82 APP (0.46) ALDH1A1CTNNB1MAOBMAPTHTT
SCHEMBL3332850 0.80 LMNA (0.44) ALDH1A1MAOBHTTRAB9ASMN1; SMN2
SCHEMBL3335702 0.80 ATM (0.46) ALDH1A1CTNNB1MAPTHTTNPC1
SCHEMBL1586362 0.78 PLA2G4B (0.50) ALDH1A1CTNNB1POLBL3MBTL1KDM4E
SCHEMBL27774510 0.78 L3MBTL1 (0.57) ALDH1A1MAPTACACBL3MBTL1KMT2A
SCHEMBL7186388 0.78 L3MBTL1 (0.62) ALDH1A1CTNNB1MAOBMAPTHTT
SCHEMBL27795584 0.78 KDM4E (0.55) ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL13034122 0.77 ALDH1A1 (0.60) ALDH1A1MAOBMAPTNPC1POLB

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 ALDH1A1 372/4885CTNNB1 4617/4885MAOB 3753/4885

“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.