SCHEMBL10196236

SCHEMBL10196236

CCc1ccc(Oc2cnc3ccc(Br)cc3n2)cc1C1=C(O)CCC1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
CYP1A2 P05177 3/20 0.34
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP3A4 P08684 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
HIF1A Q16665 1/20 0.34
GMNN O75496 1/20 0.34
APEX1 P27695 1/20 0.34
PMP22 Q01453 1/20 0.34
HTT P42858 7/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL10196213 0.88 HTT (0.44) ALDH1A1CYP1A2HPGDNPSR1CYP3A4
SCHEMBL10195495 0.87 ALDH1A1 (0.37) ALDH1A1CYP1A2HPGDNPSR1CYP3A4
SCHEMBL10196089 0.85 ALDH1A1 (0.42) ALDH1A1CYP1A2HPGDNPSR1CYP3A4
SCHEMBL10196225 0.85 HTT (0.39) ALDH1A1CYP1A2HPGDNPSR1CYP3A4
SCHEMBL10195518 0.83 SCN9A (0.32) ALDH1A1CYP1A2HPGDNPSR1CYP3A4
SCHEMBL10196263 0.81 TP53 (0.32) ALDH1A1CYP1A2HPGDNPSR1CYP3A4
SCHEMBL19070708 0.81 TP53 (0.32) ALDH1A1CYP1A2HPGDNPSR1CYP3A4
SCHEMBL10196167 0.80 MAOB (0.42) ALDH1A1HPGDNPSR1MAPTSMN1; SMN2
SCHEMBL10266923 0.80 TP53 (0.30) ALDH1A1CYP1A2HPGDNPSR1CYP3A4
SCHEMBL10195208 0.80 TP53 (0.33) ALDH1A1CYP1A2HPGDNPSR1CYP3A4

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
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
WO-2010102848-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-09-16 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ALDH1A1 14/4885CYP1A2 67/4885HPGD 2284/4885

“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.