SCHEMBL15968422

SCHEMBL15968422

COCOc1ccc(CO[Si](C)(C)C(C)(C)C)nc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.36
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32
FYN P06241 1/20 0.32
MBOAT4 Q96T53 1/20 0.31
SYK P43405 1/20 0.30
AURKB Q96GD4 1/20 0.30
INCENP Q9NQS7 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
APLNR P35414 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL29987089 1.00 PREP (0.36) PREPHDAC1HDAC6HDAC5FYN
SCHEMBL30716895 0.86 MBOAT4 (0.40) PREPMBOAT4SYKAURKBINCENP
SCHEMBL17781376 0.86 MBOAT4 (0.40) PREPMBOAT4SYKAURKBINCENP
SCHEMBL12057944 0.82 PIK3CD (0.38) FYNMBOAT4SYKAURKBINCENP
SCHEMBL23554539 0.78 PREP (0.35) PREPPOLBRAB9A
SCHEMBL1799455 0.78 PPARG (0.34) FYNPPARGPPARA
SCHEMBL17810295 0.76 SYK (0.39) HDAC1HDAC6HDAC5SYKAURKB
SCHEMBL29185149 0.76 ESR1 (0.44) HDAC1HDAC6HDAC5
SCHEMBL28941178 0.75 KIF11 (0.34) PREPHDAC1HDAC6HDAC5PPARG
SCHEMBL9900805 0.75 PREP (0.34) PREPFYNPOLBRAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117412960-A Isoindolinone compounds and imaging agents for imaging huntingtin CHDI基金会股份有限公司 2024-01-16 CN disclosed
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
EP-2772485-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-09-03 EP disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 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-20140243310-A1 BICYCLIC COMPOUND BICRA, NR3C2, CYP11B2 PREP 4105/4885HDAC1 41/4885HDAC6 125/4885

“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.