SCHEMBL1453536

SCHEMBL1453536

COc1ccc2c(c1)C([Si](C)(C)C1C(C)=Cc3ccc(OC)cc31)C(C)=C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 4/20 0.37
HSD17B10 Q99714 3/20 0.37
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
NQO2 P16083 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
CA12 O43570 3/20 0.33
CA9 Q16790 3/20 0.33
CA1 P00915 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 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
SCHEMBL1452879 0.76
SCHEMBL1453797 0.75 HTR2A (0.37) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL1454531 0.75 ACHE (0.37) ALDH1A1KDM4EHPGDHSD17B10NQO2
SCHEMBL1452244 0.73 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL4651925 0.73 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL1452916 0.72 TERT (0.35) KDM4ECA1CA2NOS3NOS1
SCHEMBL1453575 0.69 CYP3A4 (0.35)
SCHEMBL4324596 0.66
SCHEMBL1453940 0.64 GPR3 (0.33) MEN1KMT2ALMNA
SCHEMBL11372386 0.61 TRPA1 (0.57) TRPA1ALDH1A1KDM4EHPGDHSD17B10

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
US-7910783-B2 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-03-22 US disclosed
EP-1971621-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS ExxonMobil Chemical Patents Inc. (US) 2008-09-24 EP disclosed
WO-2007070045-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2007-06-21 WO disclosed
US-20070135596-A1 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 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-20070135596-A1 Preparation of substituted bridged indenyl and related ligands SP1, TTL, TTLL12 TRPA1 792/4885ALDH1A1 2182/4885KDM4E 3402/4885

“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.