SCHEMBL16708441

SCHEMBL16708441

C=C(C)C(=O)OC12CC3CC(C1)CC(C(C)(C)OC(=O)C(=C)C)(C3)C2

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.31
CYP19A1 P11511 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31

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
SCHEMBL16708442 0.89 DPP8 (0.31) DPP8DPP9
SCHEMBL16708440 0.89
SCHEMBL3680710 0.89 CYP17A1 (0.32) CYP17A1CYP19A1
SCHEMBL18623592 0.86 DPP4 (0.31)
SCHEMBL2735072 0.84 CYP17A1 (0.35) CYP17A1CYP19A1
SCHEMBL18842273 0.84
SCHEMBL3680847 0.83
SCHEMBL678282 0.83 PKM (0.33)
SCHEMBL17532384 0.83
SCHEMBL15281488 0.82 CYP17A1 (0.36) CYP17A1CYP19A1

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
US-9376621-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-28 US disclosed
US-9376621-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-28 US disclosed
US-20150129801-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-05-14 US disclosed
US-20150129801-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-05-14 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-20150129801-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE BACE1, DRD1, CHRM1 CYP17A1 636/4885CYP19A1 616/4885DPP8 2508/4885

“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.