SCHEMBL10195210

SCHEMBL10195210

CCc1ccc(Oc2nc3ccc(Cl)cc3s2)cc1C1=C(O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
PTPN1 P18031 1/20 0.34
CTSD P07339 1/20 0.34
EPHX2 P34913 4/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
PPARA Q07869 2/20 0.32
DYRK1A Q13627 1/20 0.32
FSCN1 Q16658 1/20 0.32
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
DCLK1 O15075 1/20 0.32
FES P07332 1/20 0.32
PIM1 P11309 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
IRAK1 P51617 1/20 0.32
MAP4K2 Q12851 1/20 0.32
NTRK3 Q16288 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
SCHEMBL10195386 0.93 CTSD (0.34) CTSDEPHX2PPARALTA4H
SCHEMBL10195291 0.90 EPHX2 (0.34) KMT2APTPN1EPHX2NPC1RAB9A
SCHEMBL10195359 0.90 ATAD2 (0.38) KMT2ANPC1RAB9ADYRK1AMAPT
SCHEMBL10195356 0.89 EPHX2 (0.33) CTSDEPHX2RAB9AMAPTLTA4H
SCHEMBL10195209 0.88 CYP1A2 (0.42) CTSDEPHX2PPARAPPARGLTA4H
SCHEMBL10195366 0.87 EPHX2 (0.45) EPHX2PPARADYRK1AMAPTCSNK1D
SCHEMBL10195365 0.87 DYRK1A (0.39) CTSDEPHX2NPC1RAB9ADYRK1A
SCHEMBL16351646 0.87 KMT2A (0.39) KMT2APTPN1NPC1RAB9ADYRK1A
SCHEMBL10195369 0.87 CTSD (0.33) CTSDLMNA
SCHEMBL10195645 0.85 CASP3 (0.33) PTPN1CTSDNPC1RAB9APPARA

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
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP disclosed
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US disclosed
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
WO-2010081755-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-07-22 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-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 KMT2A 839/4885PTPN1 227/4885CTSD 2755/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 KMT2A 674/4885PTPN1 374/4885CTSD 3465/4885

“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.