SCHEMBL10196079

SCHEMBL10196079

CCc1ccc(Oc2ccc(Br)cc2F)cc1C1=C(O)[C@H]2[C@@H](C1=O)[C@@H]1CC[C@H]2O1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.31
MAPK14 Q16539 2/20 0.31
KCNH2 Q12809 1/20 0.30
GHSR Q92847 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
SCHEMBL19071446 1.00 P2RX7 (0.31) P2RX7MAPK14KCNH2GHSR
SCHEMBL10187594 0.93 MAPK14 (0.33) MAPK14KCNH2GHSR
SCHEMBL19070682 0.90 KDM4E (0.32)
SCHEMBL10196067 0.90 KDM4E (0.32)
SCHEMBL19070825 0.89 HTR2A (0.34) KCNH2
SCHEMBL10196076 0.89 HTR2A (0.34) KCNH2
SCHEMBL10196136 0.89 HIF1A (0.35) MAPK14KCNH2
SCHEMBL19071560 0.89 HIF1A (0.35) MAPK14KCNH2
SCHEMBL19070612 0.88 S1PR1 (0.35)
SCHEMBL19070669 0.88 MAPK14 (0.32) P2RX7MAPK14KCNH2GHSR

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 6 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
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 P2RX7 1713/4885MAPK14 2378/4885KCNH2 1805/4885

“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.