SCHEMBL432528

SCHEMBL432528

Cc1cc(C)c(C(O)c2ccco2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
POLB P06746 3/20 0.40
PKM P14618 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PTPN1 P18031 1/20 0.40
PTPN7 P35236 1/20 0.40
BLM P54132 1/20 0.40
ESR2 Q92731 1/20 0.40
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
AGTR1 P30556 1/20 0.37
CYP2C19 P33261 1/20 0.36
TP53 P04637 2/20 0.35
IGFBP3 P17936 1/20 0.35

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
SCHEMBL10187529 0.86 KMT2A (0.38) KMT2APOLBPKML3MBTL1PTPN1
SCHEMBL16281711 0.86 KMT2A (0.38) KMT2APOLBPKML3MBTL1PTPN1
SCHEMBL1653635 0.86 KMT2A (0.38) KMT2APOLBPKML3MBTL1PTPN1
SCHEMBL19468435 0.80 KMT2A (0.38) KMT2APOLBPKML3MBTL1PTPN1
SCHEMBL19279453 0.78 KMT2A (0.35) KMT2APOLBPKML3MBTL1PTPN1
SCHEMBL10187544 0.75 MEN1 (0.41) KMT2APKML3MBTL1MAPTMEN1
SCHEMBL18287890 0.75 IGFBP3 (0.41) MAPTKDM4EALDH1A1TDP1SLC6A2
SCHEMBL7684954 0.75 KMT2A (0.56) KMT2APOLBPKML3MBTL1PTPN1
SCHEMBL19468426 0.74 MAPT (0.37) KMT2APOLBMAPTMEN1KDM4E
SCHEMBL10829193 0.73 TP53 (0.49) KMT2APOLBPKML3MBTL1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185564-B1 Herbicidally active cyclopentanedione compounds and derivatives thereof SYNGENTA LTD (GB) 2014-06-18 EP disclosed
EP-2185564-B1 Herbicidally active cyclopentanedione compounds and derivatives thereof SYNGENTA LTD (GB) 2014-06-18 EP disclosed
US-8754242-B2 Herbicides SYNGENTA CROP PROTECTION LLC (US) 2014-06-17 US disclosed
US-8754242-B2 Herbicides SYNGENTA CROP PROTECTION LLC (US) 2014-06-17 US disclosed
US-8754242-B2 Herbicides SYNGENTA CROP PROTECTION LLC (US) 2014-06-17 US disclosed
US-20120094832-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-04-19 US disclosed
US-20120094832-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-04-19 US disclosed
US-20120094832-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-04-19 US disclosed
EP-2429979-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2012-03-21 EP disclosed
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US disclosed
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US disclosed
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US disclosed
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 WO disclosed
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 WO disclosed
WO-2010057880-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-05-27 WO disclosed
WO-2010057880-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-05-27 WO disclosed
EP-2185564-A2 TRICYCLIC BRIDGED CYCLOPENTANEDIONE DERIVATIVES AS HERBICIDES Syngenta Limited (GB) 2010-05-19 EP disclosed
WO-2009019005-A2 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-12 WO disclosed
WO-2009019005-A2 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-12 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-20120065066-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 KMT2A 674/4885POLB 4374/4885PKM 2307/4885
US-20120094832-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP1A1 KMT2A 726/4885POLB 4474/4885PKM 2362/4885

“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.