SCHEMBL919936

SCHEMBL919936

CCCCc1ccc[c]c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.39
LIPG Q9Y5X9 1/20 0.38
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX5 P09917 2/20 0.34
PTGS2 P35354 1/20 0.34
TLR8 Q9NR97 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BID P55957 3/20 0.33
MCL1 Q07820 3/20 0.33
BCL2L1 Q07817 2/20 0.33
BAK1 Q16611 2/20 0.33

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
SCHEMBL920666 0.94 LIPG (0.44) TYRLIPGCYP3A4ALOX5PTGS2
SCHEMBL920584 0.93 LIPG (0.47) TYRLIPGCYP3A4ALOX5PTGS2
SCHEMBL920907 0.93 LIPG (0.47) TYRLIPGCYP3A4ALOX5PTGS2
SCHEMBL105233 0.88 TAAR1 (0.31)
SCHEMBL5209928 0.87 BID (0.41) LIPGCYP3A4CYP2D6CYP2C9MAPT
SCHEMBL455634 0.79
SCHEMBL677297 0.78 LIPG (0.39) TYRLIPGCYP3A4CYP2D6CYP2C9
SCHEMBL2972730 0.78 LIPG (0.39) TYRLIPGCYP3A4CYP2D6CYP2C9
SCHEMBL919642 0.78 HTR2A (0.41) MEN1KMT2ABIDMCL1BCL2L1
SCHEMBL920532 0.78 MAOB (0.44) MEN1MAPTKMT2ABIDMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1454931-B1 PROPYLENE BLOCK COPOLYMER JAPAN POLYPROPYLENE CORP (JP) 2018-01-24 EP disclosed
EP-2009017-B1 NOVEL TRANSITION METAL COMPOUND, CATALYST FOR OLEFIN POLYMERIZATION CONTAINING THE SAME, AND METHOD FOR PRODUCING PROPYLENE/ETHYLENE-ALPHA -OLEFIN BLOCK COPOLYMER BY USING THE CATALYST JAPAN POLYPROPYLENE CORP (JP) 2013-06-26 EP disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-7906599-B2 Transition metal compound, catalyst for olefin polymerization containing the same, and method for producing propylene/ethylene-α-olefin block copolymer by using the catalyst JAPAN POLYPROPYLENE CORPORATION (JP) 2011-03-15 US disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
CN-101641012-A Agricultural composition for controlling or preventing plant diseases caused by plant pathogenic microbes SUMITOMO CHEMICAL CO JP 2010-02-03 CN disclosed
US-20090099310-A1 NOVEL TRANSITION METAL COMPOUND, CATALYST FOR OLEFIN POLYMERIZATION CONTAINING THE SAME, AND METHOD FOR PRODUCING PROPYLENE/ETHYLENE-ALPHA-OLEFIN BLOCK COPOLYMER BY USING THE CATALYST JAPAN POLYPROPYLENE CORPORATION (JP) 2009-04-16 US disclosed
EP-2009017-A1 NOVEL TRANSITION METAL COMPOUND, CATALYST FOR OLEFIN POLYMERIZATION CONTAINING THE SAME, AND METHOD FOR PRODUCING PROPYLENE/ETHYLENE-ALPHA -OLEFIN BLOCK COPOLYMER BY USING THE CATALYST Japan Polypropylene Corporation (JP) 2008-12-31 EP disclosed
US-7348326-B2 Heteroaryl fused aminoalkyl imidazole derivatives: selective modulators of GABAa receptors NEUROGEN CORPORATION (US) 2008-03-25 US disclosed
WO-2007039145-A1 C (2) -HETEROARYLMETHYL-C (4) -PYRAZINYL-2-YL ACYL PYRROLIDINE COMPOUNDS AND THEIR USE FOR TREATING VIRAL INFECTIONS, ESPECIALLY HEPATITIS C VIRUS GLAXO GROUP LIMITED (GB) 2007-04-12 WO disclosed
US-20060160842-A1 Heteroaryl fused aminoalkyl imidazole derivates: selective modulators of GABAA receptors NEUROGEN CORPORATION (US) 2006-07-20 US disclosed
US-6972293-B2 Heteroaryl fused aminoalkyl-imidazole derivatives: selective modulators of GABAa receptors NEUROGEN CORPORATION (US) 2005-12-06 US disclosed
US-6916886-B2 Propylene block copolymer JAPAN POLYPROPYLENE CORPORATION (JP) 2005-07-12 US disclosed
US-20050009993-A1 Propylene block copolymer JAPAN POLYPROPYLENE CORPORATION (JP) 2005-01-13 US disclosed
EP-1454931-A1 PROPYLENE BLOCK COPOLYMER Japan Polypropylene Corporation (JP) 2004-09-08 EP disclosed
US-6627624-B1 Agonists, antagonists or inverse agonists for GABAa brain receptors or prodrugs of agonists, antagonists or inverse agonists for GABAa brain receptors, and are therefore useful in the diagnosis and treatment of anxiety, Down Syndrome, NEUROGEN CORPORATION 2003-09-30 US disclosed
US-6380210-B1 USEFUL IN DIAGNOSIS AND TREATMENT OF ANXIETY, DOWN SYNDROME, SLEEP, COGNITIVE AND SEIZURE DISORDERS, DEPRESSION, OVERDOSE WITH BENZODIAZEPINE DRUGS, AND ENHANCEMENT OF MEMORY AND ALERTNESS NEUROGEN CORPORATION 2002-04-30 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 (5 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX TYR 2933/4885LIPG 1198/4885CYP3A4 4318/4885
US-20060160842-A1 Heteroaryl fused aminoalkyl imidazole derivates: selective modulators of GABAA receptors GABRB1, GABRA1, GABRB3 TYR 3611/4885LIPG 4861/4885CYP3A4 136/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 TYR 1863/4885LIPG 3664/4885CYP3A4 3076/4885
US-20090099310-A1 NOVEL TRANSITION METAL COMPOUND, CATALYST FOR OLEFIN POLYMERIZATION CONTAINING THE SAME, AND METHOD FOR PRODUCING PROPYLENE/ETHYLENE-ALPHA-OLEFIN BLOCK COPOLYMER BY USING THE CATALYST ALOX12, ETFB, POF1B TYR 2003/4885LIPG 2999/4885CYP3A4 541/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 TYR 780/4885LIPG 3990/4885CYP3A4 3032/4885

“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.