SCHEMBL9945604

SCHEMBL9945604

CC/C=N/OCCCOc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.50
LTA4H P09960 2/20 0.49
HTR1B P28222 2/20 0.44
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA7 P36544 2/20 0.43
CHRNA4 P43681 2/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL9945420 0.91 KCNA3 (0.47) KCNA3LTA4HHTR1BCHRNB2CHRNB4
SCHEMBL4142243 0.85 LTA4H (0.57) KCNA3LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL29638993 0.85 LTA4H (0.57) KCNA3LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL15866002 0.82 KCNA3 (0.54) KCNA3LTA4HHTR1BCHRNB2CHRNB4
SCHEMBL9944307 0.79 KCNA3 (0.50) KCNA3LTA4HHTR1BDRD2DRD3
SCHEMBL9945276 0.75 TAAR1 (0.49) DRD3TAAR1ALDH1A1KCNH2CHRM2
SCHEMBL1025 0.74 KCNA3 (0.88) KCNA3LTA4HHTR1BCHRNB2CHRNB4
SCHEMBL9945371 0.74 LTA4H (0.38) KCNA3LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL28780886 0.74 KCNA3 (0.62) KCNA3LTA4HHTR1BDRD2DRD3
SCHEMBL3370239 0.74 KCNA3 (0.62) KCNA3LTA4HHTR1BCHRNB2CHRNB4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KCNA3 3595/4885LTA4H 1265/4885HTR1B 2754/4885

“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.