SCHEMBL10195435

SCHEMBL10195435

CCc1ccc(Oc2cccc(Br)c2)cc1C1=C(O)[C@H]2CC[C@H](C2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.33
KDM4E B2RXH2 3/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
RAB9A P51151 2/20 0.30
KMT5A Q9NQR1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL10195195 0.90 MAOA (0.38) HTTMAOAMAOB
SCHEMBL16351662 0.85 LPAR1 (0.39) HTTSMN1; SMN2ALDH1A1
SCHEMBL10195438 0.84 CHRNA3 (0.33) SLC6A4
SCHEMBL18971525 0.84 SMN1; SMN2 (0.36) KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL10194975 0.84 SMN1; SMN2 (0.36) KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL10195443 0.84 MAPK14 (0.32) HTTSMN1; SMN2ALDH1A1
SCHEMBL10195434 0.84 HTR2A (0.35) KDM4ESLC6A4RECQLSMN1; SMN2RAB9A
SCHEMBL10195196 0.84 FFAR4 (0.36) HTT
SCHEMBL10194959 0.84 FFAR4 (0.36) SLC6A4SLC6A3MAOAMAOBALDH1A1
SCHEMBL10195441 0.81 PTGS2 (0.36) SLC6A2SLC6A4SLC6A3

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 HTT 414/4885KDM4E 712/4885SLC6A2 2464/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 HTT 584/4885KDM4E 1092/4885SLC6A2 2164/4885

“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.