SCHEMBL13327441

SCHEMBL13327441

Cc1ccc(C(=O)C2C(=O)CCCC2=O)c([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.67
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNMA1 Q12791 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40

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
SCHEMBL13751933 0.83 HPD (0.67) HPDMAPTMEN1PKMKMT2A
SCHEMBL9191354 0.83 HPD (0.67) HPDCYP3A4ALDH1A1MEN1PKM
SCHEMBL9711707 0.83 HPD (0.48) HPDTSHRCYP3A4ALDH1A1MAPT
Mesotrione SCHEMBL4895947 0.83 HPD (0.62) HPDALDH1A1MAPTMEN1LMNA
Mesotrione SCHEMBL22116 0.83 HPD (0.62) HPDALDH1A1MAPTMEN1LMNA
SCHEMBL19295182 0.83 HPD (0.62) HPDMAPTMEN1PKMKMT2A
Mesotrione SCHEMBL29352201 0.83 HPD (0.62) HPDALDH1A1MAPTMEN1LMNA
Mesotrione SCHEMBL2233142 0.82 HPD (0.61) HPDALDH1A1MAPTMEN1LMNA
Mesotrione SCHEMBL20723476 0.82 HPD (0.61) HPDALDH1A1MAPTMEN1LMNA
Mesotrione SCHEMBL1667345 0.82 HPD (0.61) HPDALDH1A1MAPTMEN1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160324785-A1 Pharmaceutical Composition CYCLE PHARMACEUTICALS LTD. (GB) 2016-11-10 US disclosed
US-20140162880-A1 Controlled Release Granules SYNGENTA CROP PROTECTION, INC. (US) 2014-06-12 US disclosed
US-8748343-B2 Herbicide/safener combintions BAYER CROPSCIENCE AG (DE) 2014-06-10 US disclosed
US-20120322657-A1 HERBICIDE/SAFENER COMBINTIONS ZIEMER FRANK (DE) 2012-12-20 US disclosed
US-20100113269-A1 CONTROLLED RELEASE GRANULES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 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 (4 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-20120322657-A1 HERBICIDE/SAFENER COMBINTIONS DDT, DERL1, SLC16A7 HPD 1093/4885TSHR 575/4885CYP3A4 906/4885
US-20100113269-A1 CONTROLLED RELEASE GRANULES NSF, SLC18A1, GET3 HPD 1519/4885TSHR 3176/4885CYP3A4 2258/4885
US-20140162880-A1 Controlled Release Granules NSF, SLC18A1, GET3 HPD 1519/4885TSHR 3176/4885CYP3A4 2258/4885
US-20160324785-A1 Pharmaceutical Composition TPH1, HTT, NAT1 HPD 258/4885TSHR 3059/4885CYP3A4 652/4885

“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.