SCHEMBL921673

SCHEMBL921673

CCOc1ccc(Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.61
NQO1 P15559 1/20 0.58
PARP15 Q460N3 1/20 0.50
PARP10 Q53GL7 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
PGR P06401 2/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
RAB9A P51151 2/20 0.49
CYP19A1 P11511 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
IL18 Q14116 1/20 0.49
MAOB P27338 1/20 0.48
CYP2A6 P11509 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL509602 0.94 NQO1 (0.67) LTA4HNQO1PARP10MAPTLMNA
Hydrochloric Acid SCHEMBL27878587 0.91 NQO1 (0.64) LTA4HNQO1PARP10MAPTLMNA
SCHEMBL923351 0.88 LTA4H (0.58) LTA4HNQO1PARP15PARP10PARP2
Alcohol SCHEMBL29171755 0.88 NQO1 (0.58) LTA4HNQO1PARP10MAPTLMNA
SCHEMBL10485751 0.88 NQO1 (0.58) LTA4HNQO1MAPTLMNARAB9A
SCHEMBL12726667 0.88 NQO1 (0.58) NQO1MAPTLMNAKDM4EMAOB
SCHEMBL8041598 0.88 NQO1 (0.58) NQO1MAPTLMNAKDM4EMAOB
SCHEMBL8852392 0.84 PARP15 (0.63) PARP15PARP10PARP2PGRMAPT
SCHEMBL7041250 0.84 PARP15 (0.63) PARP15PARP10PARP2PGRMAPT
SCHEMBL12476726 0.84 NQO1 (0.82) LTA4HNQO1PARP10MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243547-A1 LINEAR (PER) FLUOROPOLYETHERS WITH -CF(CF3)COF END GROUPS AND DERIVATIVES THEREOF SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2014-08-28 US disclosed
WO-2013050273-A1 LINEAR (PER)FLUOROPOLYETHERS WITH -CF(CF3)COF END GROUPS AND DERIVATIVES THEREOF SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2013-04-11 WO disclosed
CN-101951771-A Composition for agricultural use for controlling or preventing plant diseases caused by plant pathogens SUMITOMO CHEMICAL CO 2011-01-19 CN 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
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
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
WO-2009107764-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS 住友化学株式会社 (JP) 2009-09-03 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 (2 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 LTA4H 3410/4885NQO1 1649/4885PARP15 4078/4885
US-20140243547-A1 LINEAR (PER) FLUOROPOLYETHERS WITH -CF(CF3)COF END GROUPS AND DERIVATIVES THEREOF COXFA4, CYP4F3, ETFB LTA4H 1995/4885NQO1 1535/4885PARP15 1724/4885

“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.