SCHEMBL1194558

SCHEMBL1194558

CC[C@@H](CO)NCCOc1ccc(Cl)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
ALDH1A1 P00352 6/20 0.56
HTT P42858 5/20 0.56
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
HTR1A P08908 1/20 0.46
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
TDP1 Q9NUW8 3/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.41

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
SCHEMBL1194624 0.84 HTR1A (0.64) KDM4EALDH1A1HTTTP53ALOX15
SCHEMBL3400308 0.84 HTR1A (0.64) KDM4EALDH1A1HTTTP53ALOX15
SCHEMBL1195203 0.79 ALDH1A1 (0.49) KDM4EALDH1A1HTTHTR1AMEN1
SCHEMBL15346481 0.78 HTR1A (0.48) KDM4EALDH1A1HTTHTR1AMEN1
SCHEMBL1194560 0.77 MEN1 (0.57) HTTMEN1KMT2AGAANPSR1
SCHEMBL1194561 0.77 MEN1 (0.57) HTTMEN1KMT2AGAANPSR1
SCHEMBL1196032 0.76 KDM4E (0.53) KDM4EALDH1A1HTTTP53ALOX15
SCHEMBL15346260 0.76 HTR1B (0.57) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL15346474 0.76 ALDH1A1 (0.63) KDM4EALDH1A1HTTHTR1AMEN1
SCHEMBL15346257 0.76 ALDH1A1 (0.63) KDM4EALDH1A1HTTHTR1AMEN1

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 KDM4E 2309/4885ALDH1A1 461/4885HTT 1496/4885
US-20110028562-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE ACHE, CNR2, SCN1A KDM4E 1944/4885ALDH1A1 541/4885HTT 1614/4885

“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.