SCHEMBL10196229

SCHEMBL10196229

CCc1ccc(Oc2nc3ccc(OC)cc3s2)cc1C1=C(O)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATAD2 Q6PL18 1/20 0.41
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP3A4 P08684 2/20 0.38
HTT P42858 1/20 0.38
DYRK1A Q13627 1/20 0.38
CASP2 P42575 1/20 0.38
MAOB P27338 1/20 0.38
PDK1 Q15118 1/20 0.37

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
SCHEMBL10196207 0.90 PTPN1 (0.36) SMN1; SMN2ALDH1A1KMT2AMAPTKDM4E
SCHEMBL13190205 0.89 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL10196205 0.88 CYP1A2 (0.45) SMN1; SMN2CYP1A2CYP2C19CYP3A4
SCHEMBL10195509 0.87 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL19070658 0.87 EPHX2 (0.34) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL10196227 0.86 KMT2A (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL10196215 0.84 CTSD (0.35) SMN1; SMN2HTT
SCHEMBL10195462 0.83 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL16256573 0.82 CA1 (0.39) ALDH1A1KDM4EHTT
SCHEMBL19070664 0.82 MAPT (0.40) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT

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 SMN1; SMN2 2952/4885ALDH1A1 14/4885MEN1 4280/4885

“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.