SCHEMBL10195437

SCHEMBL10195437

CCc1ccc(Oc2ccc(F)c(Cl)c2)cc1C1=C(O)[C@H]2CC[C@H](C2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.37
HTR2A P28223 3/20 0.37
KCNH2 Q12809 3/20 0.37
HIF1A Q16665 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
SOS1 Q07889 8/20 0.36
FFAR4 Q5NUL3 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
EPAS1 Q99814 2/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL10195442 0.92 HTR2A (0.36) SLC6A4HTR2AKCNH2HIF1AFFAR4
SCHEMBL10194959 0.89 FFAR4 (0.36) SLC6A4HTR2AKCNH2HIF1AFFAR4
SCHEMBL16181197 0.89 HTR2A (0.35) SLC6A4HTR2AKCNH2
SCHEMBL10195438 0.88 CHRNA3 (0.33) SLC6A4
SCHEMBL10195196 0.87 FFAR4 (0.36) HIF1AFFAR4MAPT
SCHEMBL10195193 0.87 HIF1A (0.39) SLC6A4HTR2AKCNH2HIF1AFFAR4
SCHEMBL10195566 0.87 MRGPRX4 (0.32) SLC6A4HTR2AKCNH2
SCHEMBL12115909 0.86 ERCC1 (0.37) HTR2A
SCHEMBL18971549 0.86 ERCC1 (0.37) HTR2A
SCHEMBL17826971 0.86

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 SLC6A4 1501/4885HTR2A 1192/4885KCNH2 1267/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 SLC6A4 1443/4885HTR2A 1320/4885KCNH2 1805/4885

“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.