SCHEMBL10196061

SCHEMBL10196061

CCc1ccc(Oc2ccccc2F)cc1C1=C(O)[C@H]2[C@@H](C1=O)[C@@H]1CC[C@H]2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
LPAR1 Q92633 3/20 0.33
LPAR5 Q9H1C0 3/20 0.33
FFAR1 O14842 1/20 0.33
HIF1A Q16665 1/20 0.33
ALOX15 P16050 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL19070612 1.00 S1PR1 (0.35) S1PR1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL19071341 0.89 S1PR1 (0.35) S1PR1ALDH1A1LPAR1LPAR5HIF1A
SCHEMBL10196075 0.89 S1PR1 (0.35) S1PR1ALDH1A1LPAR1LPAR5HIF1A
SCHEMBL10196175 0.88 LTB4R (0.33) MEN1MAPTHTTKMT2AMMP13
SCHEMBL10196079 0.88 P2RX7 (0.31)
SCHEMBL19071446 0.88 P2RX7 (0.31)
SCHEMBL10196136 0.88 HIF1A (0.35) HIF1A
SCHEMBL19071560 0.88 HIF1A (0.35) HIF1A
SCHEMBL10196301 0.86 CYP11B1 (0.33)
SCHEMBL10196174 0.85 HTR2A (0.35) ALDH1A1HPGDHIF1AMAPTKMT2A

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 S1PR1 3494/4885ALDH1A1 14/4885HPGD 2284/4885

“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.