SCHEMBL10196075

SCHEMBL10196075

CCc1ccc(Oc2ccccc2Cl)cc1C1=C(O)[C@H]2[C@@H](C1=O)[C@@H]1CC[C@H]2O1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.35
ABL1 P00519 2/20 0.35
CAMK2A Q9UQM7 1/20 0.34
LDHA P00338 2/20 0.33
HIF1A Q16665 1/20 0.33
MMP14 P50281 2/20 0.32
MMP13 P45452 1/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR5 Q9H1C0 2/20 0.32
ALDH1A1 P00352 1/20 0.32
EZH2 Q15910 1/20 0.32

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
SCHEMBL19071341 1.00 S1PR1 (0.35) S1PR1ABL1CAMK2ALDHAHIF1A
SCHEMBL10196169 0.90 FFAR1 (0.38) HIF1AALDH1A1
SCHEMBL19070612 0.89 S1PR1 (0.35) S1PR1HIF1AMMP14MMP13LPAR1
SCHEMBL10196061 0.89 S1PR1 (0.35) S1PR1HIF1AMMP14MMP13LPAR1
SCHEMBL19070825 0.88 HTR2A (0.34) ALDH1A1
SCHEMBL10196076 0.88 HTR2A (0.34) ALDH1A1
SCHEMBL10196000 0.86 MAOA (0.34) MMP13ALDH1A1
SCHEMBL19070661 0.86 MAOA (0.34) MMP13ALDH1A1
SCHEMBL10196303 0.86 FFAR1 (0.41)
SCHEMBL10196085 0.85 NAAA (0.35) ABL1HIF1AMMP14MMP13

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 3494/4885ABL1 672/4885CAMK2A 2173/4885

“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.