SCHEMBL10327013

SCHEMBL10327013

COc1ccc(CC2CC(OC(=O)C(C)(C)C)=C(c3c(C)cc(C)cc3C)C2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ ELANE P08246 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP26A1 O43174 1/20 0.36
▸ CYP24A1 Q07973 1/20 0.36
▸ POLB P06746 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ PKM P14618 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ TSPO P30536 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL12948988 0.89 CYP26A1 (0.34) L3MBTL1ELANECYP26A1
SCHEMBL987301 0.89 ELANE (0.32) L3MBTL1ELANEKMT2AMAPTLMNA
SCHEMBL10326979 0.87 ELANE (0.33) ELANEALDH1A1TSHRLMNA
SCHEMBL12949064 0.87 CYP26A1 (0.37) L3MBTL1ELANECYP26A1MAPT
SCHEMBL10326774 0.86 IDH1 (0.34) L3MBTL1ELANEIDH1
SCHEMBL10326958 0.86 TBXA2R (0.33) ELANEALDH1A1POLBKMT2AMAPT
SCHEMBL10326978 0.85 ALDH1A1 (0.38) ALDH1A1POLB
SCHEMBL10326957 0.84 ELANE (0.31) ELANE
SCHEMBL10326779 0.82 SPHK1 (0.35) TSHRMAPT
SCHEMBL10326235 0.82 CCR8 (0.36) MEN1KMT2A

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-8791303-B2 Herbicides SYNGENTA LIMITED (GB) 2014-07-29 — — US disclosed
US-8791303-B2 Herbicides SYNGENTA LIMITED (GB) 2014-07-29 — — US disclosed
US-20120178623-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-07-12 — — US disclosed
US-20120178623-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-07-12 — — US disclosed
WO-2011007146-A1 HERBICIDALLY ACTIVE 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2011-01-20 — — 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-20120178623-A1 NOVEL HERBICIDES DDT, CBR3, C9 L3MBTL1 38/4885CYP19A1 660/4885ELANE 2327/4885

“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.

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