SCHEMBL19985032

SCHEMBL19985032

CCOC(=O)CC1CCc2c(C)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
FFAR1 O14842 1/20 0.44
CYP1A2 P05177 1/20 0.42
IDO1 P14902 1/20 0.40
NLRP3 Q96P20 2/20 0.40
HSD17B1 P14061 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL12798477 0.89 ESR1 (0.51) CYP11B1CYP11B2CYP1A2HSD17B1ESR1
SCHEMBL26308105 0.86 FFAR1 (0.44) CYP11B1CYP11B2FFAR1CYP1A2IDO1
SCHEMBL1338586 0.86 FFAR1 (0.44) CYP11B1CYP11B2FFAR1CYP1A2IDO1
SCHEMBL19984879 0.83 CYP11B1 (0.56) CYP11B1CYP11B2FFAR1CYP1A2ALDH1A1
SCHEMBL7551239 0.81 ESR1 (0.41) FFAR1IDO1ESR1ESR2KEAP1
SCHEMBL1339687 0.81 CYP11B1 (0.51) CYP11B1CYP11B2FFAR1CYP1A2NLRP3
SCHEMBL12086776 0.81 SIGMAR1 (0.50)
SCHEMBL30618514 0.80 CYP1A2 (0.47) CYP11B1CYP11B2FFAR1CYP1A2IDO1
SCHEMBL3348647 0.80 CYP1A2 (0.47) CYP11B1CYP11B2FFAR1CYP1A2IDO1
SCHEMBL13930583 0.78 CYP11B1 (0.45) CYP11B1CYP11B2CYP1A2IDO1NLRP3

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-3512843-B1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-10-20 EP disclosed
US-11136292-B2 Plant growth regulator compounds SYNGENTA PARTICIPATIONS AG (CH) 2021-10-05 US disclosed
US-20190330148-A1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-10-31 US disclosed
WO-2018050477-A1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 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 (2 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-11136292-B2 Plant growth regulator compounds FGF1, MST1, CDC20 CYP11B1 2334/4885CYP11B2 3052/4885FFAR1 2309/4885
US-20190330148-A1 PLANT GROWTH REGULATOR COMPOUNDS FGF1, MST1, CDC20 CYP11B1 2334/4885CYP11B2 3052/4885FFAR1 2309/4885

“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.