SCHEMBL1195286

SCHEMBL1195286

Cc1cc(Cl)ccc1OCCNC[C@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.61
KDM4E B2RXH2 6/20 0.59
ALDH1A1 P00352 6/20 0.59
MAPK1 P28482 1/20 0.59
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 2/20 0.52
ADRB2 P07550 1/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
GAA P10253 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL1194800 0.88 KDM4E (0.51) ATMKDM4EALDH1A1MAPK1MEN1
SCHEMBL1196032 0.86 KDM4E (0.53) ATMKDM4EALDH1A1MAPK1MEN1
SCHEMBL1195282 0.83 SCN4A (0.53) KDM4EALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL1194624 0.78 HTR1A (0.64) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3400308 0.78 HTR1A (0.64) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21595803 0.77 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15346327 0.77 KDM4E (0.61) ATMKDM4EALDH1A1MAPK1MEN1
SCHEMBL1195275 0.76 NPSR1 (0.65) MEN1KMT2ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL1195279 0.76 NPSR1 (0.65) MEN1KMT2ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL21595688 0.75 KDM4E (0.62) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2

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 ATM 1728/4885KDM4E 2309/4885ALDH1A1 461/4885
US-20110028562-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE ACHE, CNR2, SCN1A ATM 1648/4885KDM4E 1944/4885ALDH1A1 541/4885

“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.