SCHEMBL9944287

SCHEMBL9944287

CC(C)(C)/C=N/OCCN1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
PSMB1 P20618 2/20 0.41
PSMB5 P28074 2/20 0.41
PSMB2 P49721 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36

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
SCHEMBL9944259 0.98 PSMB1 (0.44) KDM4EPSMB1PSMB5PSMB2CYP1A2
SCHEMBL6979241 0.79 TDP1 (0.36) KDM4EPSMB1PSMB5PSMB2CYP1A2
SCHEMBL15865996 0.77 HRH3 (0.38) PSMB1PSMB5PSMB2SMN1; SMN2HRH3
SCHEMBL9945525 0.76 PSMB1 (0.38) KDM4EPSMB1PSMB5PSMB2ALDH1A1
SCHEMBL6955961 0.74 PSMB1 (0.38) KDM4EPSMB1PSMB5ALDH1A1SMN1; SMN2
SCHEMBL9945422 0.74 PSMB1 (0.40) KDM4EPSMB1PSMB5PSMB2CYP1A2
SCHEMBL9944262 0.69 PSMB1 (0.43) KDM4EPSMB1PSMB5PSMB2CYP1A2
SCHEMBL17215752 0.69
SCHEMBL28210079 0.68 NPC1 (0.38) PSMB1PSMB5PSMB2CYP1A2HRH3
SCHEMBL13017475 0.67 LTA4H (0.39) PSMB1PSMB5PSMB2HRH3TDP1

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 KDM4E 533/4885PSMB1 302/4885PSMB5 585/4885

“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.