SCHEMBL124889

SCHEMBL124889

COc1cccc(OC)c1-c1[c]c(C2CCCCC2)c(C2CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.39
HTR2C P28335 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLL Q9UGP5 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
DRD2 P14416 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
HTR2A P28223 2/20 0.34
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
IDO1 P14902 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR3C1 P04150 1/20 0.33

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
SCHEMBL18918348 0.85 ADRA2A (0.37) HTR2CHTR2AHTR1DHTR1BPTGDR2
SCHEMBL17924604 0.81 CNR1 (0.34) ABCB1MEN1KMT2AALDH1A1MAPT
SCHEMBL17838330 0.73 ABCB1 (0.38) ABCB1MEN1KMT2APOLLALDH1A1
SCHEMBL12493327 0.71 ROCK2 (0.43)
SCHEMBL6695552 0.71 HTR2C (0.68) HTR2CMEN1KMT2ADRD2HTR1D
SCHEMBL30938438 0.71 HTR2C (0.68) HTR2CMEN1KMT2ADRD2HTR1D
SCHEMBL1428861 0.71 HTR2C (0.68) HTR2CMEN1KMT2ADRD2HTR1D
SCHEMBL4736528 0.71 HTR2C (0.68) HTR2CMEN1KMT2ADRD2HTR1D
SCHEMBL14890943 0.71 MEN1 (0.32) ABCB1HTR2CMEN1KMT2AHTR2A
SCHEMBL20577705 0.71 ABCB1 (0.50) ABCB1HTR2CMEN1KMT2APOLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
US-8450243-B2 Herbicidal quinoline and 1,8-naphthyridine compounds SYNGENTA LIMITED (GB) 2013-05-28 US disclosed
EP-2417132-B1 HERBICIDAL QUINOLINE AND 1,8-NAPHTHYRIDINE COMPOUNDS SYNGENTA LTD (GB) 2013-04-17 EP disclosed
US-20120094833-A1 HERBICIDAL QUINOLINE AND 1,8 -NAPHTHYRIDINE COMPOUNDS SYNGENTA CROP PROTECTION, LLC (US) 2012-04-19 US disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 EP disclosed
EP-2417132-A2 HERBICIDAL QUINOLINE AND 1,8-NAPHTHYRIDINE COMPOUNDS Syngenta Limited (GB) 2012-02-15 EP disclosed
WO-2011163355-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 WO disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2265120-A1 HERBICIDAL COUMPOUNDS Syngenta Limited (GB) 2010-12-29 EP disclosed
WO-2010116122-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2010-10-14 WO disclosed
WO-2010112826-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2010-10-07 WO disclosed
WO-2009115788-A1 HERBICIDAL COUMPOUNDS SYNGENTA LIMITED (GB) 2009-09-24 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-20120094833-A1 HERBICIDAL QUINOLINE AND 1,8 -NAPHTHYRIDINE COMPOUNDS NQO2, QDPR, CYP4X1 ABCB1 783/4885HTR2C 2337/4885MEN1 3765/4885
US-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT ABCB1 1019/4885HTR2C 3044/4885MEN1 1810/4885

“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.