SCHEMBL10195186

SCHEMBL10195186

CCc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1C1=C(O)CC(C)(C)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
MAPT P10636 4/20 0.40
CYP1A2 P05177 3/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
HIF1A Q16665 1/20 0.40
GMNN O75496 1/20 0.40
HPGD P15428 1/20 0.40
APEX1 P27695 1/20 0.40
PMP22 Q01453 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
GAA P10253 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
SCHEMBL16180988 0.90 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL10195508 0.90 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL10195498 0.89 HTT (0.41) ALDH1A1SMN1; SMN2MAPTCYP1A2LMNA
SCHEMBL10195457 0.88 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MAPTLMNATP53
SCHEMBL10196089 0.87 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTCYP1A2LMNA
SCHEMBL10195400 0.87 CYP1A2 (0.37) ALDH1A1SMN1; SMN2MAPTCYP1A2LMNA
SCHEMBL10195495 0.86 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MAPTCYP1A2LMNA
SCHEMBL10195510 0.85 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2MAPTLMNATP53
SCHEMBL13190201 0.83 CYP1A2 (0.39) ALDH1A1SMN1; SMN2MAPTCYP1A2LMNA
SCHEMBL10195106 0.82 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTLMNATP53

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 ALDH1A1 45/4885SMN1; SMN2 2218/4885MAPT 3785/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 ALDH1A1 14/4885SMN1; SMN2 2952/4885MAPT 3903/4885

“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.