SCHEMBL4104422

SCHEMBL4104422

CC(C)OC(=O)[C@@H](N)Cc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.67
▸ ALDH1A1 P00352 3/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ HIF1A Q16665 3/20 0.67
▸ LMNA P02545 3/20 0.67
▸ KMT2A Q03164 3/20 0.67
▸ ALOX15 P16050 2/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ NFKB1 P19838 2/20 0.67
▸ THPO P40225 2/20 0.67
▸ MAPT P10636 2/20 0.67
▸ PMP22 Q01453 2/20 0.67
▸ ABCB11 O95342 1/20 0.67
▸ CHRM2 P08172 1/20 0.67
▸ ADRA2A P08913 1/20 0.67
▸ CHRM1 P11229 1/20 0.67
▸ ACHE P22303 1/20 0.67
▸ PTGS1 P23219 1/20 0.67
▸ OPRM1 P35372 1/20 0.67
▸ DRD3 P35462 1/20 0.67

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
SCHEMBL1069263 0.86 ALDH1A1 (0.70) CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA
Hydrochloric Acid SCHEMBL2682374 0.85 ALDH1A1 (0.68) CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA
SCHEMBL1071414 0.85 SMN1; SMN2 (0.68) CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA
SCHEMBL16085123 0.83 HIF1A (0.78) CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA
SCHEMBL23394728 0.83 CYP3A4 (0.65) CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA
SCHEMBL1083380 0.82 CYP3A4 (0.64) CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA
SCHEMBL29038261 0.81 SMN1; SMN2 (0.62) CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA
SCHEMBL30462575 0.81 SMN1; SMN2 (0.62) CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA
Melphalan SCHEMBL4697634 0.81 HIF1A (0.94) CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA
Sarcolysin SCHEMBL28338888 0.81 HIF1A (0.94) CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA

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-8575385-B2 Process of making optically pure melphalan NAVINTA LLC (US) 2013-11-05 — — US 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 121/4885ALDH1A1 717/4885SMN1; SMN2 2786/4885

“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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