SCHEMBL1069268

SCHEMBL1069268

CCCOC(=O)[C@@H](N)Cc1ccc(N(CCO)CCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ CHRM2 P08172 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ PTGS1 P23219 1/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CYP1A2 P05177 1/20 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
SCHEMBL1067494 0.89 CYP3A4 (0.51) CYP3A4MEN1KMT2AALDH1A1ALOX15
SCHEMBL1071994 0.85 ALDH1A1 (0.52) CYP3A4MEN1KMT2AALDH1A1ALOX15
SCHEMBL29038261 0.84 SMN1; SMN2 (0.62) CYP3A4MEN1KMT2AALDH1A1ALOX15
SCHEMBL30462575 0.84 SMN1; SMN2 (0.62) CYP3A4MEN1KMT2AALDH1A1ALOX15
SCHEMBL13696625 0.82 CYP3A4 (0.57) CYP3A4MEN1KMT2AALDH1A1ALOX15
SCHEMBL1081775 0.81 CYP3A4 (0.48) CYP3A4MEN1KMT2AALDH1A1ALOX15
SCHEMBL972278 0.79 SLC7A5 (0.57) ALDH1A1CHRM1TDP1SLC7A5
SCHEMBL5025012 0.79 HIF1A (0.75) CYP3A4MEN1KMT2AALDH1A1ALOX15
SCHEMBL972279 0.79 SLC7A5 (0.57) ALDH1A1CHRM1TDP1SLC7A5
SCHEMBL1070028 0.79 HIF1A (0.75) CYP3A4MEN1KMT2AALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575385-B2 Process of making optically pure melphalan NAVINTA LLC (US) 2013-11-05 — — US disclosed
EP-2268827-B1 PROCESS OF MAKING OPTICALLY PURE MELPHALAN NAVINTA LLC (US) 2013-10-09 — — EP disclosed
EP-2268827-A1 PROCESS OF MAKING OPTICALLY PURE MELPHALAN Navinta, llc. (US) 2011-01-05 — — EP disclosed
WO-2009117164-A1 PROCESS OF MAKING OPTICALLY PURE MELPHALAN NAVINTA LLC (US) 2009-09-24 — — WO disclosed
US-20090240074-A1 Process Of Making Optically Pure Melphalan PROVIDENT BANK 2009-09-24 — — 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-20090240074-A1 Process Of Making Optically Pure Melphalan TYR, PAH, TET2 CYP3A4 121/4885MEN1 513/4885KMT2A 152/4885

“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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