SCHEMBL198944

SCHEMBL198944

[CH2]CCCc1c(CCC)cccc1CCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
DAO P14920 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
KCNH2 Q12809 1/20 0.31
BID P55957 3/20 0.31
MCL1 Q07820 3/20 0.31
BCL2L1 Q07817 2/20 0.31
BAK1 Q16611 2/20 0.31
KAT8 Q9H7Z6 2/20 0.31
IAPP P10997 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
EP300 Q09472 1/20 0.31
KAT2A Q92830 1/20 0.31

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
SCHEMBL9046269 0.94 GABRA1 (0.38) GRM5LTB4RLTB4R2DAOGABRA1
SCHEMBL9046397 0.90 TAAR1 (0.34) GRM5LTB4RLTB4R2DAOALOX5
SCHEMBL198620 0.90 LIPG (0.39) ALOX5PTGS2LIPGKCNH2BID
SCHEMBL198348 0.88 LIPG (0.46) ALOX5PTGS2LIPGKCNH2BID
SCHEMBL9045688 0.87 TAAR1 (0.37)
SCHEMBL9045705 0.87 SMN1; SMN2 (0.35) GRM5LTB4RLTB4R2
SCHEMBL200223 0.87 DAO (0.35) GRM5LTB4RLTB4R2DAOALOX5
SCHEMBL199356 0.86 LIPG (0.49) ALOX5PTGS2LIPGKCNH2BID
SCHEMBL198243 0.86 LIPG (0.49) ALOX5PTGS2LIPGKCNH2BID
SCHEMBL199710 0.86 LIPG (0.49) ALOX5PTGS2LIPGKCNH2BID

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
US-8088922-B2 Dibenzorylenetetracarboximides as infrared absorbers BASF AKTIENGESELLSCHAFT (DE) 2012-01-03 US disclosed
EP-2029573-B1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF SE (DE) 2011-10-26 EP disclosed
US-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF AKTIENGESELLSCHAFT (DE) 2010-02-25 US disclosed
EP-2029573-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF SE (DE) 2009-03-04 EP disclosed
WO-2007138051-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS BASF SE (DE) 2007-12-06 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 (3 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-20100048904-A1 DIBENZORYLENETETRACARBOXIMIDES AS INFRARED ABSORBERS TDO2, C9, CYP3A43 GRM5 3567/4885LTB4R 146/4885LTB4R2 84/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 GRM5 3372/4885LTB4R 1181/4885LTB4R2 1153/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 GRM5 3372/4885LTB4R 1181/4885LTB4R2 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.