SCHEMBL9944311

SCHEMBL9944311

CC(C)(C)/C=N/OCc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SYK P43405 4/20 0.40
CYP1A2 P05177 1/20 0.40
AURKB Q96GD4 3/20 0.39
INCENP Q9NQS7 3/20 0.39
HRH3 Q9Y5N1 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
HRH1 P35367 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
ABCB1 P08183 1/20 0.38
HTR1A P08908 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
SCHEMBL15865983 0.83 ALDH1A1 (0.45) SMN1; SMN2KDM4EALDH1A1SYKAURKB
SCHEMBL9945448 0.80 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1SYKAURKB
SCHEMBL20732817 0.79 ALDH1A1 (0.42) SMN1; SMN2KDM4EALDH1A1SYKCYP1A2
SCHEMBL13754806 0.76 ALDH1A1 (0.44) SMN1; SMN2KDM4EALDH1A1CYP1A2HRH3
SCHEMBL9944264 0.74 SYK (0.46) SMN1; SMN2KDM4EALDH1A1SYKAURKB
SCHEMBL9944318 0.74 NPC1 (0.42) SMN1; SMN2KDM4EALDH1A1SYKCYP1A2
SCHEMBL14075065 0.73 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EALDH1A1SYKCYP1A2
SCHEMBL17217699 0.73 NPC1 (0.47) SMN1; SMN2ALDH1A1NPC1LMNARAB9A
SCHEMBL8472048 0.73 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EALDH1A1SYKHRH1
SCHEMBL9944275 0.73 NPC1 (0.47) SMN1; SMN2ALDH1A1NPC1LMNARAB9A

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-8772290-B2 Alpha-arylmethoxyacrylate derivative, preparation method thereof, and pharmaceutical composition containing same Oscotech Inc. (KR) 2014-07-08 US disclosed
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 SMN1; SMN2 3764/4885KDM4E 533/4885ALDH1A1 43/4885

“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.