SCHEMBL6654922

SCHEMBL6654922

CC(C(=O)O)=C(C#N)c1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1B Q92523 1/20 0.45
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA3 P07451 1/20 0.43
TYR P14679 1/20 0.43
DRD1 P21728 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
CISD1 Q9NZ45 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SLC16A3 O15427 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL6654920 1.00 CPT1B (0.45) CPT1BCA1CA2CA12CA7
SCHEMBL560689 0.85 CES2 (0.43) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL15988463 0.79 CPT1B (0.47) CPT1BCA1CA2CA12CA7
SCHEMBL1931317 0.77 ESR1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL1931315 0.77 ESR1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL15991621 0.74 ALDH1A1 (0.47) CPT1BCA1CA2CA12CA7
SCHEMBL15991618 0.74 ALDH1A1 (0.47) CPT1BCA1CA2CA12CA7
SCHEMBL6653855 0.73 PREP (0.40) CA1CA12CA9ALDH1A1HPGD
SCHEMBL13371732 0.72 ACHE (0.56) CA2CA12CA9CA14CA3
SCHEMBL15494488 0.71 EGFR (0.61) CA1CA2CA12CA9CA14

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-20040254241-A1 Enzyme inhibitor; cognition activators KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-12-16 US disclosed
EP-1431280-A1 ARYL SULFAMATE DERIVATIVES Kyowa Hakko Kogyo Co., Ltd (JP) 2004-06-23 EP 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-20040254241-A1 Enzyme inhibitor; cognition activators SULT1A1, STS, CYP26A1 CPT1B 3346/4885CA1 147/4885CA2 465/4885

“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.