SCHEMBL515828

SCHEMBL515828

Cc1cc(O)cc(C)c1C1C(=O)C2C3CCC(CC3)C2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.36
ELAVL1 Q15717 1/20 0.35
P4HB P07237 1/20 0.34
CYP3A4 P08684 2/20 0.33
GPR55 Q9Y2T6 1/20 0.33
CHRM1 P11229 1/20 0.33
ALOX15 P16050 1/20 0.33
MAOA P21397 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
ACHE P22303 1/20 0.32
NUAK1 O60285 1/20 0.30
IGF1R P08069 1/20 0.30
PIM1 P11309 1/20 0.30
SRC P12931 1/20 0.30
KDR P35968 1/20 0.30
PLK1 P53350 1/20 0.30
PKN1 Q16512 1/20 0.30
AURKB Q96GD4 1/20 0.30

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
SCHEMBL515422 0.93 PTPN1 (0.35) PTPN1ELAVL1P4HBCYP3A4GPR55
SCHEMBL449604 0.79 SMN1; SMN2 (0.42) CYP3A4MEN1MAPTKMT2AALDH1A1
SCHEMBL449518 0.79 SMN1; SMN2 (0.42) CYP3A4MEN1MAPTKMT2AALDH1A1
SCHEMBL447364 0.70 NOS3 (0.31)
SCHEMBL10187580 0.68 ELAVL1 (0.36) ELAVL1CYP3A4CHRM1ALOX15MAOA
SCHEMBL16018035 0.68 CYP3A4 (0.44) PTPN1ELAVL1P4HBCYP3A4GPR55
SCHEMBL407119 0.67 HSD17B3 (0.36) CYP3A4ALOX15MAOAMEN1MAPT
SCHEMBL449517 0.67 LMNA (0.37) MAPTALDH1A1
SCHEMBL2122883 0.67 L3MBTL1 (0.40) HTR2BMEN1MAPTKMT2AALDH1A1
SCHEMBL16196649 0.65 L3MBTL1 (0.38) HPGD

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
EP-2393769-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-12-10 EP disclosed
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 US disclosed
EP-2393769-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2011-12-14 EP disclosed
WO-2010089210-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-08-12 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 (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-20120028800-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 PTPN1 374/4885ELAVL1 2943/4885P4HB 379/4885

“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.