SCHEMBL10196110

SCHEMBL10196110

CCc1ccc(Oc2nc3ccccc3s2)cc1C1=C(O)C2C(C1=O)[C@H]1CC[C@@H]2CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 17/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNH2 Q12809 5/20 0.41
EPHX2 P34913 3/20 0.41

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
SCHEMBL19070527 0.96 LTA4H (0.41) LTA4HCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL13190203 0.96 LTA4H (0.41) LTA4HCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10196104 0.96 LTA4H (0.41) LTA4HCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10196286 0.89 P2RX3 (0.39) CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL19071200 0.89 P2RX3 (0.39) CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL13190563 0.89 PPARG (0.36) LTA4HKCNH2EPHX2
SCHEMBL19070714 0.89 EPHX2 (0.33) LTA4HKCNH2EPHX2
SCHEMBL10196269 0.89 EPHX2 (0.33) LTA4HKCNH2EPHX2
SCHEMBL19070663 0.89 PPARG (0.36) LTA4HKCNH2EPHX2
SCHEMBL10196260 0.89 PPARG (0.36) LTA4HKCNH2EPHX2

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-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
WO-2010102848-A1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LIMITED (GB) 2010-09-16 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 LTA4H 1567/4885CYP1A2 67/4885CYP3A4 424/4885

“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.