SCHEMBL1531081

SCHEMBL1531081

CC(C)Oc1c[c]c(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.41
RORC P51449 1/20 0.37
S1PR1 P21453 5/20 0.34
PPOX P50336 3/20 0.34
GAA P10253 1/20 0.34
S1PR3 Q99500 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAP2 P11137 1/20 0.32
KMO O15229 2/20 0.31
ACLY P53396 1/20 0.31
NR1I2 O75469 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL7931498 0.83 SLC2A1 (0.33) CSNK2A1
SCHEMBL1531114 0.82
SCHEMBL1531062 0.81 CSNK2A1 (0.43) CSNK2A1RORCS1PR1PPOXGAA
SCHEMBL718547 0.79 NPC1 (0.41) PPOXGAAMEN1KMT2AKDM4E
SCHEMBL6596714 0.78 ALDH1A1 (0.39) RORCPPOXGAAMEN1KMT2A
SCHEMBL5843340 0.77 TSHR (0.38) GAAMEN1KMT2ALMNAALDH1A1
SCHEMBL6592765 0.76 PPOX (0.48) PPOXGAAMEN1KMT2AKDM4E
SCHEMBL27314988 0.76
SCHEMBL5844618 0.76 KCNQ3 (0.35) CSNK2A1RORCPPOX
SCHEMBL6594973 0.75 MAPT (0.35) GAAMEN1KMT2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362852-B1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 2011-04-06 EP disclosed
EP-2292606-A1 Pyrazole derivative, its intermediate, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2011-03-09 EP disclosed
US-7767827-B2 Pyrazole-1-carboxylate derivatives, process for the production thereof and process for the production of pyrazole derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-08-03 US disclosed
US-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-06-17 US disclosed
US-7700786-B2 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-04-20 US disclosed
US-20090018345-A1 PYRAZOLE-1-CARBOXYLATE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND PROCESS FOR THE PRODUCTION OF PYRAZOLE DERIVATIVES KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-01-15 US disclosed
EP-1884512-A1 PYRAZOLE-1-CARBOXYLIC ESTER DERIVATIVE, METHOD FOR PRODUCING THE SAME AND METHOD FOR PRODUCING PYRAZOLE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 2008-02-06 EP disclosed
US-7012041-B2 Phenylpyridazinones BAYER AG (DE) 2006-03-14 US disclosed
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2005-03-31 US disclosed
EP-1120411-B1 4-Aryl-1,2,4-triazolidinedione derivatives and their use as herbicides BAYER CROPSCIENCE AG (DE) 2004-09-22 EP disclosed
WO-1997026248-A1 SUBSTITUTED N-ARYL NITROGEN HETEROCYCLIC COMPOUNDS AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-07-24 WO disclosed
US-5643855-A Herbicidal imidazolones E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-07-01 US disclosed
WO-1997005117-A1 SUBSTITUTED 1-PHENYLURACIL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-13 WO disclosed
WO-1996039392-A1 PHENYLPYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-12 WO disclosed
WO-1996018618-A1 3-ARYL-1,2,4-TRIAZOLE DERIVATIVES WITH HERBICIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1996-06-20 WO disclosed
EP-0674644-A1 HERBICIDAL IMIDAZOLONES AND A PROCESS FOR THEIR MANUFACTURE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-10-04 EP disclosed
US-4919708-A Haloalkyl triazolinones and herbicidal use thereof FMC CORPORATION (US) 1990-04-24 US disclosed
EP-0221083-A1 HALOALKYL TRIAZOLINONES FMC Corporation (US) 1987-05-13 EP disclosed
WO-1986004481-A2 HALOALKYL TRIAZOLINONES FMC CORPORATION (US) 1986-08-14 WO disclosed
EP-0061741-A2 Tetrahydrophthalimides, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-10-06 EP 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-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT CYP51A1, CYP4F11, WEE1 CSNK2A1 4166/4885RORC 2051/4885S1PR1 4612/4885
US-20090018345-A1 PYRAZOLE-1-CARBOXYLATE DERIVATIVES, PROCESS FOR THE PRODUCTION THEREOF AND PROCESS FOR THE PRODUCTION OF PYRAZOLE DERIVATIVES WEE1, CYP51A1, CYP4B1 CSNK2A1 3114/4885RORC 2352/4885S1PR1 4607/4885
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient CYP51A1, CYP4F11, WEE1 CSNK2A1 4166/4885RORC 2051/4885S1PR1 4612/4885

“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.