SCHEMBL921028

SCHEMBL921028

CCCCOc1ccc[c]c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP2C9 P11712 2/20 0.49
L3MBTL1 Q9Y468 4/20 0.42
CYP19A1 P11511 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
CYP2D6 P10635 1/20 0.41
MCHR1 Q99705 2/20 0.40
LTA4H P09960 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2A P08913 1/20 0.37
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL919613 0.95 L3MBTL1 (0.45) CYP1A2CYP2C19CYP2C9L3MBTL1CYP19A1
SCHEMBL27452216 0.93 MEN1 (0.45) CYP1A2CYP2C19CYP2C9L3MBTL1TDP1
SCHEMBL918984 0.93 MEN1 (0.45) CYP1A2CYP2C19CYP2C9L3MBTL1TDP1
SCHEMBL920424 0.93 MEN1 (0.45) CYP1A2CYP2C19CYP2C9L3MBTL1TDP1
SCHEMBL920758 0.91 L3MBTL1 (0.40) CYP1A2CYP2C19CYP2C9L3MBTL1CYP19A1
SCHEMBL920464 0.85 L3MBTL1 (0.46) CYP1A2CYP2C19CYP2C9L3MBTL1TDP1
SCHEMBL920097 0.85 L3MBTL1 (0.42) CYP1A2CYP2C19CYP2C9L3MBTL1TDP1
SCHEMBL921771 0.84 L3MBTL1 (0.45) CYP1A2CYP2C19L3MBTL1TDP1CYP2D6
SCHEMBL919820 0.84 L3MBTL1 (0.41) CYP1A2CYP2C19CYP2C9L3MBTL1TDP1
SCHEMBL918931 0.84 KDM4E (0.39) CYP1A2CYP2C19L3MBTL1TDP1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9163046-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-10-20 US 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-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-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-20100113717-A1 Process For Producing Substituted Metallocene Compounds For Olefin Polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2010-05-06 US disclosed
US-7709670-B2 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-05-04 US disclosed
EP-1866322-B1 PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2010-02-24 EP disclosed
EP-1866322-A2 PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents Inc. (US) 2007-12-19 EP disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-20060160968-A1 Process for producing substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-07-20 US disclosed
WO-2006065844-A2 PROCESS FOR PRODUCING SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO disclosed
WO-2006065809-A2 HETEROATOM BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO disclosed
US-4584376-A 1-heterocyclicthio-1-cyclopropanecarbonitriles as crop protectants MONSANTO COMPANY (US) 1986-04-22 US disclosed
US-4319913-A Substituted benzazaphospholes, herbicidal compositions and the use thereof MONSANTO COMPANY (US) 1982-03-16 US disclosed
US-4272278-A 1-Methyl-2-aryl-2,3-dihydro-1H-2,1-benzazaphosphole-1-oxides, herbicidal compositions and the use thereof MONSANTO COMPANY (US) 1981-06-09 US disclosed
US-4250320-A Process for producing substituted benzoxaphospholes MONSANTO COMPANY (US) 1981-02-10 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 CYP1A2 2625/4885CYP2C19 3323/4885CYP2C9 2100/4885
US-20100113717-A1 Process For Producing Substituted Metallocene Compounds For Olefin Polymerization OSBP, OSBPL3, OSBP2 CYP1A2 820/4885CYP2C19 1789/4885CYP2C9 1779/4885
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 CYP1A2 2409/4885CYP2C19 3738/4885CYP2C9 3579/4885
US-20060160968-A1 Process for producing substituted metallocene compounds for olefin polymerization OSBP, OSBPL3, OSBP2 CYP1A2 820/4885CYP2C19 1789/4885CYP2C9 1779/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 CYP1A2 2061/4885CYP2C19 2943/4885CYP2C9 2708/4885

“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.