SCHEMBL17201760

SCHEMBL17201760

CC1(C(=O)O)CC1[C@@]1(C)C2C[C@H](O)[C@@H]3Oc4cc(-c5cccnc5)oc(=O)c4[C@@H](O)C3[C@@]2(C)CC[C@@H]1OC(=O)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 9/20 0.49
SOAT1 P35610 8/20 0.49

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
SCHEMBL231296 1.00 SOAT2 (0.49) SOAT2SOAT1
SCHEMBL19809120 0.88 SOAT2 (0.49) SOAT2SOAT1
SCHEMBL231297 0.88 SOAT2 (0.52) SOAT2SOAT1
SCHEMBL17200181 0.88 SOAT2 (0.54) SOAT2SOAT1
SCHEMBL17200182 0.88 SOAT2 (0.49) SOAT2SOAT1
SCHEMBL233526 0.87 SOAT2 (0.60) SOAT2SOAT1
SCHEMBL15455939 0.87 SOAT2 (0.60) SOAT2SOAT1
SCHEMBL895914 0.87 SOAT2 (0.60) SOAT2SOAT1
SCHEMBL1279906 0.85 SOAT2 (0.62) SOAT2SOAT1
SCHEMBL18803185 0.82 SOAT2 (0.38) SOAT2SOAT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150305334-A1 USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYL ETHYNYL)-CYCLOHEXANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-10-29 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-20150305334-A1 USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYCLOALKENYL ETHYNYL)-CYCLOHEXANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS CBR1, CAT, NAT1 SOAT2 2034/4885SOAT1 1639/4885

“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.