SCHEMBL9944259

SCHEMBL9944259

CC(C)(C)/C=N/OCCN1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 4/20 0.44
PSMB5 P28074 4/20 0.44
PSMB2 P49721 3/20 0.44
KDM4E B2RXH2 2/20 0.41
HRH3 Q9Y5N1 7/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38
ACHE P22303 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 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
SCHEMBL9944287 0.98 KDM4E (0.42) PSMB1PSMB5PSMB2KDM4EHRH3
SCHEMBL15865996 0.79 HRH3 (0.38) PSMB1PSMB5PSMB2HRH3SMN1; SMN2
SCHEMBL6979241 0.77 TDP1 (0.36) PSMB1PSMB5PSMB2KDM4EHRH3
SCHEMBL9945422 0.76 PSMB1 (0.40) PSMB1PSMB5PSMB2KDM4EHRH3
SCHEMBL9945525 0.74 PSMB1 (0.38) PSMB1PSMB5PSMB2KDM4EALDH1A1
SCHEMBL6955961 0.73 PSMB1 (0.38) PSMB1PSMB5KDM4EALDH1A1SMN1; SMN2
SCHEMBL9944262 0.71 PSMB1 (0.43) PSMB1PSMB5PSMB2KDM4EHRH3
SCHEMBL28210079 0.70 NPC1 (0.38) PSMB1PSMB5PSMB2HRH3CYP1A2
SCHEMBL1094428 0.69 HDAC3 (0.41) PSMB1PSMB5PSMB2HRH3CYP1A2
SCHEMBL16837520 0.69 PSMB1 (0.38) PSMB1PSMB5PSMB2KDM4EHRH3

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 PSMB1 302/4885PSMB5 585/4885PSMB2 655/4885

“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.