SCHEMBL200072

SCHEMBL200072

[CH2]CCc1c(CC)cccc1CC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.46
GABRB2 P47870 4/20 0.46
TAAR1 Q96RJ0 2/20 0.39
HTR1A P08908 1/20 0.39
SCN5A Q14524 2/20 0.36
KCNH2 Q12809 1/20 0.36
MGLL Q99685 1/20 0.33
PDK2 Q15119 1/20 0.33
CACNA1C Q13936 1/20 0.33
IAPP P10997 2/20 0.32
NPEPPS P55786 2/20 0.32
DAO P14920 1/20 0.32

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
SCHEMBL199686 0.86 GABRA1 (0.43) GABRA1GABRB2TAAR1HTR1ASCN5A
SCHEMBL200223 0.84 DAO (0.35) GABRA1GABRB2IAPPDAO
SCHEMBL10996008 0.83 GABRA1 (0.40) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL200081 0.80 LIPG (0.40) KCNH2IAPP
SCHEMBL597268 0.80 GABRA1 (0.50) GABRA1GABRB2TAAR1HTR1ASCN5A
SCHEMBL201156 0.80 GABRA1 (0.50) GABRA1GABRB2TAAR1HTR1ASCN5A
SCHEMBL9046269 0.80 GABRA1 (0.38) GABRA1GABRB2TAAR1HTR1ASCN5A
SCHEMBL198270 0.79 LIPG (0.47) KCNH2
SCHEMBL18378254 0.78 GABRA1 (0.48) GABRA1GABRB2TAAR1HTR1ASCN5A
SCHEMBL6397646 0.78 GABRA1 (0.42) GABRA1GABRB2TAAR1MGLL

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 9 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
CN-105764885-B The production method of acid and free-radical generating agent and acid and free radical 富士胶片和光纯药株式会社 2018-11-09 CN 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
CN-105764885-A Acid- and radical-generating agent and method for generating acid and radical 和光纯药工业株式会社 2016-07-13 CN 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 GABRA1 1449/4885GABRB2 870/4885TAAR1 2206/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 GABRA1 924/4885GABRB2 2041/4885TAAR1 1102/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 GABRA1 924/4885GABRB2 2041/4885TAAR1 1102/4885

“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.