SCHEMBL1453380

SCHEMBL1453380

CC1=Cc2ccc(-c3cccs3)cc2C1[Si](C)(C)C1C(C)=Cc2ccc(-c3cccs3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PDK2 Q15119 1/20 0.36
PGR P06401 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ERN1 O75460 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
CYP2E1 P05181 1/20 0.34

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
SCHEMBL1454019 0.79 KCNH2 (0.41) KCNH2PDK2PGRERN1PRMT6
SCHEMBL1453967 0.79 KCNH2 (0.41) KCNH2PDK2PGRERN1PRMT6
SCHEMBL1453574 0.79 KCNH2 (0.41) KCNH2PDK2PGRERN1PRMT6
SCHEMBL1454234 0.78 GAA (0.37) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL4651917 0.78 HDAC2 (0.40) KCNH2PGRERN1PRMT6HDAC3
SCHEMBL1452759 0.77 SMN1; SMN2 (0.33) KCNH2NPC1RAB9AALDH1A1NFKB1
SCHEMBL1453843 0.77 CYP19A1 (0.36) NPC1RAB9ASMN1; SMN2PDK2LMNA
SCHEMBL1452577 0.73 RAB9A (0.37) NPC1RAB9AALDH1A1NFKB1NFKB2
SCHEMBL1453955 0.72 NQO2 (0.31) CYP2A6
SCHEMBL1452879 0.69

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 KCNH2 1293/4885NPC1 1782/4885RAB9A 3323/4885

“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.