SCHEMBL10195498

SCHEMBL10195498

CCc1ccc(Oc2cnc3ccccc3n2)cc1C1=C(O)CC(C)(C)CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 8/20 0.41
ALDH1A1 P00352 8/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 3/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
RHOA P61586 1/20 0.38

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
SCHEMBL16180988 0.90 ALDH1A1 (0.37) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL10195508 0.90 ALDH1A1 (0.37) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL10195495 0.89 ALDH1A1 (0.37) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL10195186 0.89 ALDH1A1 (0.40) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL10195499 0.88 SMN1; SMN2 (0.40) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL10196213 0.86 HTT (0.44) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL10195520 0.86 HTT (0.38) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL13190565 0.82 HTT (0.41) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL10195510 0.81 SMN1; SMN2 (0.37) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL10195490 0.80 SMN1; SMN2 (0.42) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2

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 HTT 414/4885ALDH1A1 45/4885MEN1 4216/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 HTT 584/4885ALDH1A1 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.