SCHEMBL198681

SCHEMBL198681

[CH2]CCCc1c(C)cccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 2/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
TAAR1 Q96RJ0 3/20 0.34
HTR1D P28221 1/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRPA1 O75762 2/20 0.32
CD44 P16070 1/20 0.32
ATM Q13315 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
SCHEMBL1610192 0.93 CYP2A6 (0.36) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL1610794 0.91 CYP2A6 (0.35) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL1611048 0.91 CYP2A6 (0.35) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL3111749 0.91 CYP2A6 (0.35) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL158976 0.87 CYP2A6 (0.39) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL9045995 0.85 ALDH1A1 (0.43) CYP2A6CYP1A2ALDH1A1CA1CA2
SCHEMBL9046154 0.85 TAAR1 (0.42) ALDH1A1TAAR1MEN1LMNAKMT2A
SCHEMBL9046621 0.85 ACHE (0.43) CYP2A6CYP1A2ACHEALDH1A1TAAR1
SCHEMBL8096178 0.84 CYP2A6 (0.45) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL8095408 0.84 CYP2A6 (0.45) CYP2A6CYP1A2TSHRACHEALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690854-A1 1-PHENYL-IMIDAZOL-2-ONE BIPHENYLMETHYL COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1996-01-10 EP claimed
EP-0579766-A1 N-ARYLHETEROARYLALKYL IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1994-01-26 EP claimed
WO-1992017469-A2 N-ARYLHETEROARYLALKYL IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-10-15 WO claimed
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-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 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
EP-1347952-A1 ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES Dow AgroSciences LLC (US) 2003-10-01 EP disclosed
WO-2002046142-A1 ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2002-06-13 WO disclosed
US-6348627-B1 CONTROLLING PHYTOPATHOGENIC FUNGI DOW AGROSCIENCES LLC 2002-02-19 US disclosed
WO-2002012172-A1 UNSATURATED OXIME ETHERS AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2002-02-14 WO disclosed
US-6303818-B1 Unsaturated oxime ethers and their use as fungicides DOW AGROSCIENCES LLC 2001-10-16 US disclosed
EP-0690854-A1 1-PHENYL-IMIDAZOL-2-ONE BIPHENYLMETHYL COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1996-01-10 EP disclosed
EP-0664802-A1 N-ARYLHETEROARYLALKYL 1-PHENYL-IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1995-08-02 EP disclosed
EP-0579766-A1 N-ARYLHETEROARYLALKYL IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1994-01-26 EP disclosed
WO-1992017469-A2 N-ARYLHETEROARYLALKYL IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-10-15 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 (4 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 CYP2A6 290/4885CYP1A2 82/4885TSHR 1062/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 CYP2A6 375/4885CYP1A2 360/4885TSHR 648/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 CYP2A6 375/4885CYP1A2 360/4885TSHR 648/4885
US-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 CYP2A6 1465/4885CYP1A2 125/4885TSHR 2994/4885

“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.