SCHEMBL10195285

SCHEMBL10195285

CCc1ccc(Oc2cnccn2)cc1C1=C(O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
PTGS2 P35354 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
RAF1 P04049 1/20 0.33
MAP2K1 Q02750 1/20 0.33
BACE1 P56817 2/20 0.33
PLAAT3 P53816 1/20 0.32
PLAAT5 Q96KN8 1/20 0.32
PLAAT2 Q9NWW9 1/20 0.32
PLAAT4 Q9UL19 1/20 0.32
LTA4H P09960 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
GAA P10253 2/20 0.31
GLA P06280 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
SCHEMBL10195160 0.87 PTGS2 (0.40) PTGS2HRH3BACE1
SCHEMBL10195167 0.86 DRD1 (0.36) PTGS2
SCHEMBL10195296 0.85 PPARG (0.35) P2RX3
SCHEMBL10195206 0.84 PPARG (0.35) SMN1; SMN2
SCHEMBL10195284 0.84 PDE4B (0.30)
SCHEMBL10195254 0.83 KDM4E (0.40) KMT2AKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL10195266 0.83 PPARG (0.35) KMT2AKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL10195272 0.83 NPC1 (0.38) RAB9ANPC1ALDH1A1BACE1GAA
SCHEMBL10195277 0.83 BACE1 (0.36) BACE1BACE2P2RX3
SCHEMBL10195235 0.82 MAOB (0.31)

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 7 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

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 839/4885KDM4E 712/4885SMN1; SMN2 2218/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 KMT2A 674/4885KDM4E 1092/4885SMN1; SMN2 2952/4885

“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.