SCHEMBL124872

SCHEMBL124872

CCOC(=O)c1cc2ccc(C)nc2nc1C(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 5/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
MIF P14174 1/20 0.40
PFKFB3 Q16875 1/20 0.40
MAOB P27338 4/20 0.39
CA12 O43570 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA1 P00915 2/20 0.38
GLA P06280 1/20 0.38
CA3 P07451 1/20 0.38
GAA P10253 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL27838090 0.82 TSHR (0.42) TSHRKDM4EHSD17B10ALDH1A1MAOB
SCHEMBL127223 0.81 TSHR (0.45) TSHRMEN1KMT2AKDM4EHSD17B10
SCHEMBL29076972 0.80 TSHR (0.50) TSHRMEN1KMT2AKDM4EHSD17B10
SCHEMBL125663 0.79 KDM4E (0.53) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL3594281 0.74 CYP4F2 (0.43) TSHRKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL127232 0.73 HPD (0.36)
SCHEMBL20829175 0.72 L3MBTL1 (0.54) TSHRMEN1KMT2AKDM4EHSD17B10
SCHEMBL122918 0.72 KDM4E (0.48) TSHRKDM4EALDH1A1HPGD
SCHEMBL16433573 0.71 KDM4E (0.48) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL19601383 0.70 KDM4E (0.54) TSHRMEN1KMT2AKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 EP disclosed
CN-102006777-A Herbicidal coumpounds SYNGENTA LTD 2011-04-06 CN disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2265120-A1 HERBICIDAL COUMPOUNDS Syngenta Limited (GB) 2010-12-29 EP disclosed
WO-2009115788-A1 HERBICIDAL COUMPOUNDS SYNGENTA LIMITED (GB) 2009-09-24 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 (1 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-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT TSHR 1704/4885MEN1 1810/4885KMT2A 1162/4885

“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.