SCHEMBL16268136

SCHEMBL16268136

Nc1ccc(CC(C(=O)O)N(CCCl)CCCl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.49
CYP3A4 P08684 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 3/20 0.49
ALOX15 P16050 2/20 0.49
KMT2A Q03164 2/20 0.49
PTGS1 P23219 2/20 0.49
NFKB1 P19838 2/20 0.49
THPO P40225 2/20 0.49
MAPT P10636 2/20 0.49
PMP22 Q01453 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
OPRM1 P35372 1/20 0.49
DRD3 P35462 1/20 0.49
SLC6A3 Q01959 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
Merophan SCHEMBL31473334 0.85 CYP1A2 (0.48) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA
SCHEMBL7513236 0.81 TDP1 (0.40) LMNAALOX15PMP22CHRM2ADRA2A
SCHEMBL29462781 0.77 SOAT1 (0.41) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA
SCHEMBL19732329 0.77 ALDH1A1 (0.45) ALDH1A1LMNAKMT2APTGS1NFKB1
SCHEMBL5252487 0.77 TDP1 (0.39) LMNAALOX15PMP22CHRM2ADRA2A
SCHEMBL9435308 0.77 TDP1 (0.39) LMNAALOX15PMP22CHRM2ADRA2A
SCHEMBL10336122 0.74 HIF1A (0.48) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA
SCHEMBL7271045 0.73 PTGS1 (0.47) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA
SCHEMBL27863169 0.73 PTGS1 (0.47) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA
SCHEMBL2565363 0.73 LDHA (0.50) HIF1ACYP3A4ALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226047-A1 PROCESS FOR THE PURIFICATION OF MELPHALAN FARMABIOS SPA (IT) 2017-08-10 US disclosed
US-9663450-B2 Process for the purification of melphalan FARMABIOS S.P.A. (IT) 2017-05-30 US disclosed
US-20160090352-A1 PROCESS FOR THE PURIFICATION OF MELPHALAN FARMABIOS S.P.A (IT) 2016-03-31 US disclosed
WO-2014191426-A1 PROCESS FOR THE PURIFICATION OF MELPHALAN FARMABIOS S.P.A. (IT) 2014-12-04 WO 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 (2 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-20160090352-A1 PROCESS FOR THE PURIFICATION OF MELPHALAN MYADM, MANBA, PTMA HIF1A 1379/4885CYP3A4 3173/4885ALDH1A1 3594/4885
US-20170226047-A1 PROCESS FOR THE PURIFICATION OF MELPHALAN MYADM, MANBA, PTMA HIF1A 1379/4885CYP3A4 3173/4885ALDH1A1 3594/4885

“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.