SCHEMBL10195197

SCHEMBL10195197

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
SLC6A4 P31645 2/20 0.35
KCNH2 Q12809 2/20 0.35
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
ACACB O00763 4/20 0.33
ACACA Q13085 4/20 0.33
ATF4 P18848 4/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD11B1 P28845 2/20 0.32
CHRNA3 P32297 1/20 0.31
ICAM1 P05362 1/20 0.31
SELE P16581 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
SCHEMBL13286405 1.00 HTR2A (0.35) HTR2ASLC6A4KCNH2CTSDBACE1
SCHEMBL10195199 0.89 ALDH1A1 (0.37) HTR2ASLC6A4KCNH2KDM4EALDH1A1
SCHEMBL13286427 0.89 ALDH1A1 (0.37) HTR2ASLC6A4KCNH2KDM4EALDH1A1
SCHEMBL16181160 0.89 ALDH1A1 (0.35) HTR2ASLC6A4KCNH2ACACBACACA
SCHEMBL10195419 0.88 LTB4R (0.33) ALDH1A1
SCHEMBL10198860 0.88 KDM4E (0.32) KDM4EALDH1A1HPGDCHRNA3
SCHEMBL10195532 0.87 CYP3A4 (0.33) KDM4EALDH1A1HPGDHSD11B1
SCHEMBL16351665 0.86 NR1I2 (0.41) KDM4EALDH1A1HPGDHSD11B1
SCHEMBL10195198 0.86 KDM4E (0.36) HTR2ASLC6A4KCNH2HIF1AKDM4E
SCHEMBL13286426 0.86 KDM4E (0.36) HTR2ASLC6A4KCNH2HIF1AKDM4E

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 7 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

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