SCHEMBL10196286

SCHEMBL10196286

CCc1ccc(Oc2nc3ccc(OC)cc3s2)cc1C1=C(O)C2C(C1=O)[C@H]1CC[C@@H]2CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.39
ITK Q08881 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
CYP2C19 P33261 4/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 2/20 0.37
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
TSHR P16473 3/20 0.37
MAPT P10636 3/20 0.36
TP53 P04637 3/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.35
CLK1 P49759 1/20 0.35

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
SCHEMBL19071200 1.00 P2RX3 (0.39) P2RX3ITKATAD2CYP2C19CYP1A2
SCHEMBL19070663 0.90 PPARG (0.36) NPC1RAB9AKMT2ADYRK1A
SCHEMBL10196260 0.90 PPARG (0.36) NPC1RAB9AKMT2ADYRK1A
SCHEMBL13190563 0.90 PPARG (0.36) NPC1RAB9AKMT2ADYRK1A
SCHEMBL19070793 0.90 EPHX2 (0.33)
SCHEMBL13190569 0.90 EPHX2 (0.33)
SCHEMBL10196110 0.89 LTA4H (0.41) CYP2C19CYP1A2CYP3A4SMN1; SMN2
SCHEMBL10196297 0.88 EPHX2 (0.44) MAPTDYRK1A
SCHEMBL19071586 0.88 EPHX2 (0.44) MAPTDYRK1A
SCHEMBL19070794 0.88 EPHX2 (0.32) P2RX3

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 4 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

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 P2RX3 1462/4885ITK 3359/4885ATAD2 3093/4885

“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.