SCHEMBL5576846

SCHEMBL5576846

CC(C)(C)CC(=O)OC1(C)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.47
▸ CYP3A4 P08684 3/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL25397835 0.79 CYP19A1 (0.53) CYP19A1CYP3A4CYP2C19
SCHEMBL28372101 0.78 CYP2C19 (0.30) CYP2C19
SCHEMBL5702559 0.78 CYP19A1 (0.56) CYP19A1CYP2C19
SCHEMBL9912807 0.78 CYP19A1 (0.51) CYP19A1CYP2C19
SCHEMBL5702555 0.78 CYP19A1 (0.51) CYP19A1CYP2C19
SCHEMBL119668 0.78 CYP19A1 (0.51) CYP19A1CYP2C19
SCHEMBL10609695 0.76 ALDH1A1 (0.47) CYP19A1CYP3A4MEN1CYP1A2CYP2C19
SCHEMBL8386198 0.76 CYP19A1 (0.50) CYP19A1CYP2C19
SCHEMBL2065251 0.76 CYP19A1 (0.50) CYP19A1CYP1A2CYP2C19
SCHEMBL18744849 0.76 CYP19A1 (0.50) CYP19A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070093536-A1 Target protein of antidiabetic and novel antidiabetic insuful corresponding thereto REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2007-04-26 — — US disclosed
EP-1698696-A1 TARGET PROTEIN OF ANTIDIABETIC AGENT AND NOVEL ANTIDIABETIC AGENT INSUFUL CORRESPONDING THERETO Reverse Proteomics Research Institute Co., Ltd (JP) 2006-09-06 — — EP 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-20070093536-A1 Target protein of antidiabetic and novel antidiabetic insuful corresponding thereto IGFBP4, IGF2BP1, INSRR CYP19A1 4170/4885CYP3A4 4154/4885MEN1 4761/4885

“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.

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