SCHEMBL9945276

SCHEMBL9945276

CC/C=N/OCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.49
AKR1B10 O60218 2/20 0.39
AKR1B1 P15121 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
IDO1 P14902 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
MAOB P27338 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL215142 0.81 NPC1 (0.44) PPARGPPARAIDO1RAB9ANPC1
SCHEMBL215143 0.81 NPC1 (0.44) PPARGPPARAIDO1RAB9ANPC1
SCHEMBL14667499 0.81 TAAR1 (0.51) TAAR1AKR1B10AKR1B1PPARGPPARA
SCHEMBL4883430 0.80 TAAR1 (0.54) TAAR1AKR1B10AKR1B1PPARGPPARA
SCHEMBL9944291 0.78 TAAR1 (0.49) TAAR1AKR1B10AKR1B1PPARGPPARA
SCHEMBL9945420 0.76 KCNA3 (0.47) TAAR1RAB9AALDH1A1DRD3
SCHEMBL9945604 0.75 KCNA3 (0.50) TAAR1ALDH1A1CHRM2HTR1AADRA2A
SCHEMBL7966776 0.74 PPARG (0.43) TAAR1PPARGPPARAIDO1TP53
SCHEMBL17215777 0.71 IDO1 (0.47) TAAR1IDO1RAB9ANPC1SMN1; SMN2
SCHEMBL7965172 0.71 ALDH1A1 (0.48) PPARGPPARAMAOBSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149707-A1 ALPHA-ARYLMETHOXYACRYLATE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME OSCOTEC INC. (KR) 2012-06-14 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-20120149707-A1 ALPHA-ARYLMETHOXYACRYLATE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME HIF1A, HIF1AN, EGLN3 TAAR1 3358/4885AKR1B10 42/4885AKR1B1 22/4885

“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.