SCHEMBL19929329

SCHEMBL19929329

C=COC12CC3CC(CC(COC(=O)OCC(C)(F)F)(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCN9A Q15858 2/20 0.32
THRB P10828 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL19929328 0.86 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AL3MBTL1SCN9A
SCHEMBL26391159 0.82 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AL3MBTL1SCN9A
SCHEMBL12093457 0.82 SCN9A (0.37) ALDH1A1MEN1KMT2AL3MBTL1SCN9A
SCHEMBL19929336 0.81 NPSR1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL12093459 0.81 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1SCN9A
SCHEMBL12869523 0.72 MEN1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL12409937 0.72 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AL3MBTL1SCN9A
SCHEMBL26391324 0.72 ALDH1A1 (0.39) ALDH1A1L3MBTL1SCN9A
SCHEMBL19929335 0.71 CYP17A1 (0.36)
SCHEMBL19929363 0.71 CYP17A1 (0.32)

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-20180065924-A1 SALT AND PHOTORESIST COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-08 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-20180065924-A1 SALT AND PHOTORESIST COMPOSITION CONTAINING THE SAME C1R, RER1, C1S ALDH1A1 2788/4885MEN1 1096/4885KMT2A 654/4885

“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.