SCHEMBL10196301

SCHEMBL10196301

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
EPAS1 Q99814 5/20 0.33
USP30 Q70CQ3 1/20 0.32
HTR2A P28223 2/20 0.32
KCNH2 Q12809 2/20 0.32
SLC6A4 P31645 1/20 0.32
GPR119 Q8TDV5 3/20 0.32
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
TBXA2R P21731 1/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
GPR6 P46095 1/20 0.31
SCN9A Q15858 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
SCHEMBL10196243 0.89 USP30 (0.35) CYP11B1CYP11B2EPAS1USP30HTR2A
SCHEMBL19071210 0.89 USP30 (0.35) CYP11B1CYP11B2EPAS1USP30HTR2A
SCHEMBL10196136 0.88 HIF1A (0.35) HTR2AKCNH2SLC6A4SCN9A
SCHEMBL19071446 0.88 P2RX7 (0.31) KCNH2
SCHEMBL19071560 0.88 HIF1A (0.35) HTR2AKCNH2SLC6A4SCN9A
SCHEMBL10196079 0.88 P2RX7 (0.31) KCNH2
SCHEMBL10196061 0.86 S1PR1 (0.35)
SCHEMBL19070612 0.86 S1PR1 (0.35)
SCHEMBL19070516 0.83 MAPK14 (0.32) CYP11B1CYP11B2USP30HTR2AKCNH2
SCHEMBL10196175 0.82 LTB4R (0.33) PPARDPPARA

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
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 CYP11B1 745/4885CYP11B2 992/4885EPAS1 2367/4885

“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.