SCHEMBL3663792

SCHEMBL3663792

CCCCCCCCCCCCc1ccccc1[S+](c1ccccc1CCCCCCCCCCCC)c1ccccc1CCCCCCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.56
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
BID P55957 3/20 0.44
MCL1 Q07820 3/20 0.44
BCL2L1 Q07817 2/20 0.44
BAK1 Q16611 2/20 0.44
KAT8 Q9H7Z6 2/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
EP300 Q09472 1/20 0.44
KAT2A Q92830 1/20 0.44
KAT2B Q92831 1/20 0.44
KAT5 Q92993 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
KCNH2 Q12809 2/20 0.42
ALOX5 P09917 2/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL31005145 1.00 LIPG (0.56) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL3188722 1.00 LIPG (0.56) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL7528453 0.92 LIPG (0.46) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL247026 0.89 LIPG (0.50) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL31005121 0.89 LIPG (0.50) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL3214972 0.89 LIPG (0.50) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL15809821 0.83 LIPG (0.69) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL10980560 0.83 LIPG (0.69) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL18496530 0.83 LIPG (0.69) LIPGNR1H2NR1H3BIDMCL1
SCHEMBL10755599 0.83 LIPG (0.69) LIPGNR1H2NR1H3BIDMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399592-B2 Polyhedral polysiloxane modified product and composition using the modified product KANEKA CORPORATION (JP) 2013-03-19 US disclosed
US-20100099790-A1 POLYHEDRAL POLYSILOXANE MODIFIED PRODUCT AND COMPOSITION USING THE MODIFIED PRODUCT KANEKA CORPORATION (JP) 2010-04-22 US disclosed
EP-2151443-A1 POLYHEDRAL POLYSILOXANE MODIFIED PRODUCT AND COMPOSITION USING THE MODIFIED PRODUCT Kaneka Corporation (JP) 2010-02-10 EP disclosed
EP-0966503-B2 CURE-ON-DEMAND, MOISTURE-CURABLE COMPOSITIONS HAVING REACTIVE SILANE FUNCTIONALITY MINNESOTA MINING & MFG (US) 2008-01-09 EP disclosed
EP-0966503-B1 CURE-ON-DEMAND, MOISTURE-CURABLE COMPOSITIONS HAVING REACTIVE SILANE FUNCTIONALITY MINNESOTA MINING & MFG (US) 2003-05-28 EP disclosed
US-6204350-B1 POLYMER HAVING REACTIVE END GROUPS 3M INNOVATIVE PROPERTIES COMPANY 2001-03-20 US disclosed
EP-0966503-A1 CURE-ON-DEMAND, MOISTURE-CURABLE COMPOSITIONS HAVING REACTIVE SILANE FUNCTIONALITY MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-12-29 EP disclosed
WO-1998040439-A1 CURE-ON-DEMAND, MOISTURE-CURABLE COMPOSITIONS HAVING REACTIVE SILANE FUNCTIONALITY MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-09-17 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-20100099790-A1 POLYHEDRAL POLYSILOXANE MODIFIED PRODUCT AND COMPOSITION USING THE MODIFIED PRODUCT SMCHD1, CNOT9, SMC4 LIPG 4250/4885NR1H2 4320/4885NR1H3 3987/4885

“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.