SCHEMBL9439634

SCHEMBL9439634

CCOC(=O)OC(=O)C1=CC(C)(C)N(O)C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TSHR P16473 2/20 0.33
▸ CA12 O43570 3/20 0.30
▸ CA1 P00915 3/20 0.30
▸ CA2 P00918 3/20 0.30
▸ CA7 P43166 3/20 0.30
▸ CA9 Q16790 3/20 0.30
▸ CA14 Q9ULX7 3/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 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
SCHEMBL1809550 0.87 TSHR (0.39) ALDH1A1KMT2AMEN1POLBTSHR
SCHEMBL8564392 0.85 SOAT1 (0.41) SOAT1ALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL1809548 0.71 LMNA (0.40) ALDH1A1KMT2AMEN1POLBTSHR
SCHEMBL14008396 0.68 APOBEC3A (0.36) ALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL1812933 0.65 MAPK1 (0.38) KMT2AL3MBTL1MEN1TSHRCA12
Diethyl Pyrocarbonate SCHEMBL30366210 0.63 SOAT1 (1.00) SOAT1ALDH1A1TSHR
Diethyl Pyrocarbonate SCHEMBL15582 0.63 SOAT1 (1.00) SOAT1ALDH1A1TSHR
SCHEMBL10353821 0.63 TSHR (0.70) SOAT1ALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL14008389 0.63 MEN1 (0.36) KMT2AMEN1
SCHEMBL11419878 0.62 SMN1; SMN2 (0.53) SOAT1ALDH1A1KMT2AMEN1TSHR

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
EP-0327263-B1 Hair growth stimulation with nitroxide and other radicals PROCTOR PETER H (US) 1994-09-07 — — EP claimed
US-20120046461-A1 STEROIDAL ANTI-HORMONE HYBRIDS NORTHEASTERN UNIVERSITY (US) 2012-02-23 — — 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-20120046461-A1 STEROIDAL ANTI-HORMONE HYBRIDS ESRRA, ESRRB, NR5A1 SOAT1 2175/4885ALDH1A1 2752/4885KMT2A 3900/4885

“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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