SCHEMBL10195419

SCHEMBL10195419

CCc1ccc(Oc2ccc(F)cc2)cc1C1=C(O)[C@@H]2CC[C@](C)(C1=O)C2(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.33
PPARG P37231 4/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ABL1 P00519 1/20 0.33
NR1I2 O75469 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
S1PR2 O95136 2/20 0.32
CCR5 P51681 3/20 0.32
PPARA Q07869 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PPARD Q03181 1/20 0.31
MMP13 P45452 2/20 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
SCHEMBL16351665 0.92 NR1I2 (0.41) NR1I2SMN1; SMN2MEN1MAPTHTT
SCHEMBL10195410 0.91 MAOA (0.38) NR1I2MEN1MAPTHTTKMT2A
SCHEMBL13286427 0.91 ALDH1A1 (0.37) PPARGFFAR4NR1I2SMN1; SMN2MEN1
SCHEMBL10195199 0.91 ALDH1A1 (0.37) PPARGFFAR4NR1I2SMN1; SMN2MEN1
SCHEMBL13286405 0.88 HTR2A (0.35) ALDH1A1
SCHEMBL10195197 0.88 HTR2A (0.35) ALDH1A1
SCHEMBL16181160 0.86 ALDH1A1 (0.35) NR1I2MEN1MAPTHTTKMT2A
SCHEMBL10198860 0.85 KDM4E (0.32) ALDH1A1
SCHEMBL10195532 0.85 CYP3A4 (0.33) ALDH1A1
SCHEMBL16351666 0.84 NR1I2 (0.35) PPARGNR1I2MEN1MAPTHTT

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 LTB4R 3769/4885PPARG 131/4885FFAR4 1065/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 LTB4R 4156/4885PPARG 101/4885FFAR4 1124/4885

“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.