SCHEMBL6653855

SCHEMBL6653855

C/C(C(=O)O)=C(\C#N)c1ccc(O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.40
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA9 Q16790 4/20 0.35
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ESR1 P03372 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL6653859 1.00 PREP (0.40) PREPCA12CA1CA9MAPT
SCHEMBL936407 0.76 MAPT (0.53) PREPCA12CA1CA9MAPT
SCHEMBL6542930 0.76 CA1 (0.52) PREPCA12CA1CA9ALDH1A1
SCHEMBL2500559 0.74 ELANE (0.52) PREPCA12CA1CA9MAPT
SCHEMBL19020169 0.73 PREP (0.41) PREPCA12CA1CA9MAPT
SCHEMBL4498801 0.73 PREP (0.43) PREPCA12CA1CA9MAPT
SCHEMBL6654922 0.73 CPT1B (0.45) CA12CA1CA9MAPTALDH1A1
SCHEMBL6654920 0.73 CPT1B (0.45) CA12CA1CA9MAPTALDH1A1
SCHEMBL560689 0.72 CES2 (0.43) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL22767272 0.72 PREP (0.40) PREPCA12CA1CA9MAPT

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 PREP 545/4885CA12 1120/4885CA1 147/4885

“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.