SCHEMBL9944294

SCHEMBL9944294

Cc1ccc(CO/N=C/C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.45
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 1/20 0.38
KCNH2 Q12809 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 1/20 0.36
IDO1 P14902 1/20 0.35
GAA P10253 3/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL17217798 1.00 AGXT (0.45) AGXTNPC1RAB9ASMN1; SMN2CASP3
SCHEMBL17217258 0.85 SMN1; SMN2 (0.35) NPC1RAB9ASMN1; SMN2LMNACYP1A2
SCHEMBL17218954 0.83 L3MBTL1 (0.50) AGXTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL17216913 0.83 IDO1 (0.44) AGXTSMN1; SMN2LMNACYP1A2CYP2C19
SCHEMBL9944275 0.82 NPC1 (0.47) AGXTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL17217699 0.82 NPC1 (0.47) AGXTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL17216444 0.81 IDO1 (0.48) AGXTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL17217551 0.80 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL17219559 0.80 IDO1 (0.47) AGXTNPC1RAB9ASMN1; SMN2IDO1
SCHEMBL17217363 0.80 IDO1 (0.50) SMN1; SMN2IDO1MAOBKDM4E

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 3 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
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 AGXT 1291/4885NPC1 3736/4885RAB9A 3845/4885

“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.