SCHEMBL9944284

SCHEMBL9944284

CC(C)(C)/C=N/OCC1CO1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
TSHR P16473 5/20 0.44
MAPK1 P28482 1/20 0.44
TP53 P04637 3/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HIF1A Q16665 2/20 0.40
CYP1A2 P05177 1/20 0.40
PPARG P37231 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.34
GLA P06280 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 1/20 0.32

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
SCHEMBL15866001 0.77
SCHEMBL9944299 0.75 RIPK1 (0.33)
SCHEMBL9945524 0.73
SCHEMBL18755564 0.72
SCHEMBL10439265 0.67 TDP1 (0.49) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL11267310 0.67 TDP1 (0.49) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL17217883 0.66
SCHEMBL9944269 0.66
SCHEMBL1908201 0.66 TSHR (0.70) ALDH1A1TSHRMAPK1TP53MAPT
SCHEMBL18661749 0.66 ALDH1A1 (0.67) ALDH1A1TSHRMAPK1TP53MAPT

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 ALDH1A1 43/4885TSHR 3700/4885MAPK1 778/4885

“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.