SCHEMBL13042007

SCHEMBL13042007

CCc1cc(Br)ccc1C1OC12C(=O)C(C)(C)OC2(C)CC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL13042058 0.89 LMNA (0.32) LMNAMAPK1HPGDTSHRSMN1; SMN2
SCHEMBL3661050 0.89 LMNA (0.32) LMNAMAPK1HPGDTSHRSMN1; SMN2
SCHEMBL3661999 0.89 LMNA (0.31) LMNAMAPK1
SCHEMBL13078216 0.82 LMNA (0.32) LMNAMAPK1HPGDTSHRSMN1; SMN2
SCHEMBL3660703 0.82 LMNA (0.32) LMNAMAPK1HPGDTSHRSMN1; SMN2
SCHEMBL13078274 0.81 LMNA (0.32) LMNAMAPK1HPGDTSHRSMN1; SMN2
SCHEMBL3734496 0.81 LMNA (0.32) LMNAMAPK1HPGDTSHRSMN1; SMN2
SCHEMBL13042005 0.81 LMNA (0.33) LMNAMAPK1HPGDTSHRSMN1; SMN2
SCHEMBL868247 0.78 LMNA (0.36) LMNAMAPK1HPGDTSHRSMN1; SMN2
SCHEMBL10121051 0.78 LMNA (0.36) LMNAMAPK1HPGDTSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895761-B2 4-phenylpyrane-3,5-diones, 4-phenylthiopyrane-3,5-diones and 2-phenylcyclohexane-1,3,5-triones as herbicides SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-20100279872-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
WO-2009074314-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES SYNGENTA LIMITED (GB) 2009-06-18 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-20100279872-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES DDT, HPD, THOP1 LMNA 4797/4885MAPK1 2266/4885HPGD 726/4885

“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.