SCHEMBL721990

SCHEMBL721990

COc1c(F)[c]ccc1C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1491066 0.80 KDM4E (0.32) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL1225214 0.78 NFE2L2 (0.36) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL726410 0.77 KDM4E (0.33) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL719277 0.77 ALDH1A1 (0.37) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL28081292 0.77 ALDH1A1 (0.32) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL8196392 0.76 KDM4E (0.32) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL8012068 0.74 KDM4E (0.31) KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL3692221 0.74 ALOX5AP (0.38)
SCHEMBL2137791 0.72
SCHEMBL466380 0.72

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-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US claimed
EP-2396306-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2011-12-21 EP claimed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 WO claimed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
EP-2396306-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2011-12-21 EP disclosed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 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-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP MAOA 547/4885KDM4E 2202/4885ALDH1A1 1043/4885

“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.