SCHEMBL3335702

SCHEMBL3335702

COCCOCOc1ccc(COC(C)=O)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
MRGPRX4 Q96LA9 7/20 0.42
CYP3A4 P08684 1/20 0.40
RARG P13631 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CTNNB1 P35222 1/20 0.38
CSNK2A1 P68400 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL3332850 0.85 LMNA (0.44) MRGPRX4CYP3A4RARGRAB9ASMN1; SMN2
SCHEMBL3639108 0.82 PPARD (0.51) RARGALDH1A1
SCHEMBL3332867 0.80 ALDH1A1 (0.49) CYP3A4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3332061 0.79 SMN1; SMN2 (0.44) ATMRARGNPC1RAB9ASMN1; SMN2
SCHEMBL3900710 0.78 CYP3A4 (0.44) ATMMRGPRX4CYP3A4NPC1RAB9A
SCHEMBL13434033 0.77 CYP3A4 (0.49) ATMMRGPRX4CYP3A4NPC1RAB9A
SCHEMBL3337674 0.75 APP (0.43) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL8767202 0.74 CTNNB1 (0.47) RARGNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13034149 0.73 MEN1 (0.58) CYP3A4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9673508 0.72 ALDH1A1 (0.54) RARGSMN1; SMN2HPGDMAPTHTT

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 ATM 329/4885MRGPRX4 263/4885CYP3A4 1505/4885

“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.