SCHEMBL1194792

SCHEMBL1194792

Cc1cc(OCC(=O)NCC(C)O)ccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
PKM P14618 1/20 0.60
MCL1 Q07820 1/20 0.59
MCHR1 Q99705 1/20 0.58
POLB P06746 1/20 0.57
SENP2 Q9HC62 1/20 0.57
MAPT P10636 4/20 0.55
THRB P10828 1/20 0.55
ALPL P05186 1/20 0.54
ALPI P09923 1/20 0.54
ALPG P10696 1/20 0.54
HPGD P15428 2/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 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
SCHEMBL1194794 1.00 ALDH1A1 (0.68) ALDH1A1MEN1KMT2APKMMCL1
SCHEMBL1195226 0.87 ALDH1A1 (0.65) ALDH1A1MEN1KMT2APKMMCL1
SCHEMBL1195228 0.87 ALDH1A1 (0.65) ALDH1A1MEN1KMT2APKMMCL1
SCHEMBL20999337 0.85 ALDH1A1 (0.70) ALDH1A1MEN1KMT2APKMMCL1
SCHEMBL1195476 0.84 ALDH1A1 (0.61) ALDH1A1MEN1KMT2APKMMCL1
SCHEMBL1195477 0.84 ALDH1A1 (0.61) ALDH1A1MEN1KMT2APKMMCL1
SCHEMBL15503710 0.82 L3MBTL1 (0.72) ALDH1A1MEN1KMT2APKMMCL1
SCHEMBL20620009 0.77 POLB (0.72) ALDH1A1MEN1KMT2APKMMCL1
SCHEMBL1195275 0.76 NPSR1 (0.65) MEN1KMT2APOLBMAPTHPGD
SCHEMBL15346345 0.76 KMT2A (0.52) ALDH1A1MEN1KMT2APOLBMAPT

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-20110028562-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2011-02-03 US claimed
US-8841347-B2 Derivatives of aminoalkanols, method of obtaining of aminoalkanols and their use UNIWERSYTET JAGIELLONSKI (PL) 2014-09-23 US disclosed
US-8633251-B2 Derivatives of aminoalkanols, method of obtaining of aminoalkanols and their use UNIWERSYTET JAGIELLONSKI (PL) 2014-01-21 US disclosed
US-20130289118-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2013-10-31 US disclosed
US-20110028562-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2011-02-03 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 (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-20130289118-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE SCN1A, SCN3A, ACHE ALDH1A1 461/4885MEN1 4463/4885KMT2A 1734/4885
US-20110028562-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE ACHE, CNR2, SCN1A ALDH1A1 541/4885MEN1 4635/4885KMT2A 1305/4885

“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.