SCHEMBL3658384

SCHEMBL3658384

CCc1cc(Br)ccc1C1C(=O)C(C)(C)OC(C)(CC)C1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 3/20 0.32
EDNRB P24530 2/20 0.31
EDNRA P25101 2/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.30
CYP1A2 P05177 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
SCHEMBL3661060 0.93 LMNA (0.35) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL402954 0.90 TSHR (0.40) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL3654462 0.89 LMNA (0.34) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL3661847 0.81 TSHR (0.36) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL3656740 0.80 TSHR (0.36) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL410941 0.79 LMNA (0.38) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL3660480 0.77 LMNA (0.39) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL3657926 0.76 LMNA (0.33) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL3658972 0.76 LMNA (0.37) TSHRLMNAHPGDSMN1; SMN2L3MBTL1
SCHEMBL3657152 0.76 LMNA (0.37) TSHRLMNAHPGDSMN1; SMN2L3MBTL1

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-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
EP-2222657-B1 PYRANDIONES, THIOPYRANDIONES AND CYCLOHEXANTRIONES HAVING HERBICIDAL PROPERTIES SYNGENTA LTD (GB) 2012-09-12 EP 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
EP-2222657-A1 4-PHENYLPYRANE-3,5-DIONES, 4-PHENYLTHIOPYRANE-3,5-DIONES AND 2-PHENYLCYCLOHEXANE-1,3,5-TRIONES AS HERBICIDES Syngenta Limited (GB) 2010-09-01 EP 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 TSHR 325/4885LMNA 4797/4885HPGD 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.