SCHEMBL1081775

SCHEMBL1081775

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HIF1A Q16665 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ PTGS1 P23219 2/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48

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
SCHEMBL1083380 0.89 CYP3A4 (0.64) CYP3A4ALDH1A1KMT2AALOX15SMN1; SMN2
SCHEMBL1067494 0.83 CYP3A4 (0.51) CYP3A4ALDH1A1KMT2AALOX15SMN1; SMN2
SCHEMBL1071994 0.81 ALDH1A1 (0.52) CYP3A4ALDH1A1KMT2AALOX15SMN1; SMN2
SCHEMBL1069268 0.81 CYP3A4 (0.49) CYP3A4ALDH1A1KMT2AALOX15SMN1; SMN2
SCHEMBL4268012 0.79 ALDH1A1 (0.42) CYP3A4ALDH1A1PTGS1SLC7A5TSHR
SCHEMBL607242 0.79 SLC7A5 (0.56) CYP3A4ALDH1A1KDM4ESLC7A5HSD17B10
SCHEMBL598432 0.79 SLC7A5 (0.56) CYP3A4ALDH1A1KDM4ESLC7A5HSD17B10
SCHEMBL10348263 0.78 SMN1; SMN2 (0.41) CYP3A4ALDH1A1SMN1; SMN2PTGS1SLC7A5
SCHEMBL13696625 0.78 CYP3A4 (0.57) CYP3A4ALDH1A1KMT2AALOX15SMN1; SMN2
SCHEMBL2515423 0.78 ALPI (0.56) CYP3A4ALDH1A1PTGS1SLC7A5TSHR

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 10 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 claimed
EP-2268827-B1 PROCESS OF MAKING OPTICALLY PURE MELPHALAN NAVINTA LLC (US) 2013-10-09 — — EP claimed
EP-2268827-A1 PROCESS OF MAKING OPTICALLY PURE MELPHALAN Navinta, llc. (US) 2011-01-05 — — EP claimed
WO-2009117164-A1 PROCESS OF MAKING OPTICALLY PURE MELPHALAN NAVINTA LLC (US) 2009-09-24 — — WO claimed
US-20090240074-A1 Process Of Making Optically Pure Melphalan PROVIDENT BANK 2009-09-24 — — US claimed
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 121/4885ALDH1A1 717/4885KMT2A 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.

Send feedback