Sugi Predict

Sugi Predict / Compounds / SCHEMBL1362957

SCHEMBL1362957

SCHEMBL1362957

Cc1ccc(CCCO[Si](C)(C)C(C)(C)C)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 2/20 0.40
▸ CHRM2 P08172 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ PKM P14618 2/20 0.35
▸ POLB P06746 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL1361805 0.90 CHRM2 (0.40) DUTCHRM2MEN1KMT2ACHRM4
SCHEMBL31263367 0.79 CHRM2 (0.42) DUTCHRM2MEN1KMT2ACHRM4
SCHEMBL13167084 0.78 DUT (0.35) DUT
SCHEMBL18189091 0.76 SMYD2 (0.34) DUTHTT
SCHEMBL21174529 0.76 PKM (0.36) DUTMEN1KMT2AMAPTKDM4E
SCHEMBL3183932 0.75 ALDH1A1 (0.35) DUTMEN1KMT2AMAPTKDM4E
SCHEMBL14183641 0.75 KCNH2 (0.42) DUTKDM4E
SCHEMBL8824443 0.74 DUT (0.36) DUTMAPT
SCHEMBL12144860 0.73 ALDH1A1 (0.37) DUTCYP2C9MAPTKDM4EPOLB
SCHEMBL3257255 0.73 ALDH1A1 (0.36) DUTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067582-B2 Fused heterocyclic compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 — — US disclosed
US-8067582-B2 Fused heterocyclic compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 — — US disclosed
US-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQIOBB COMPANY 2010-12-30 — — US disclosed
US-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQIOBB COMPANY 2010-12-30 — — US disclosed
EP-2170899-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2010-04-07 — — EP disclosed
WO-2009003077-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-31 — — WO 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-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION NR5A1, AR, ESRRA DUT 1264/4885CHRM2 2826/4885MEN1 1153/4885

“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.