SCHEMBL1195765

SCHEMBL1195765

Cc1cccc(C)c1OCCNC[C@@H](C)O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.62
ALDH1A1 P00352 3/20 0.62
ATM Q13315 1/20 0.57
ADRB2 P07550 1/20 0.54
SCN8A Q9UQD0 9/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.52
HTR1A P08908 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
SCN2A Q99250 1/20 0.49
RAB9A P51151 1/20 0.47

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
SCHEMBL1195323 1.00 KDM4E (0.62) KDM4EALDH1A1ATMADRB2SCN8A
SCHEMBL1194750 1.00 KDM4E (0.62) KDM4EALDH1A1ATMADRB2SCN8A
SCHEMBL15346294 0.95 LMNA (0.58) KDM4EALDH1A1ATMSCN8AMEN1
SCHEMBL15346315 0.90 ATM (0.57) KDM4EALDH1A1ATMADRB2SCN8A
SCHEMBL3402626 0.86 KDM4E (0.54) KDM4EALDH1A1SCN8AHTR1AADRA1D
SCHEMBL1195269 0.84 SCN8A (0.49) KDM4EALDH1A1SCN8AMEN1KMT2A
SCHEMBL15346302 0.82 ALDH1A1 (0.58) KDM4EALDH1A1ADRB2SCN8ASMN1; SMN2
SCHEMBL15346432 0.82 ALDH1A1 (0.58) KDM4EALDH1A1ADRB2SCN8ASMN1; SMN2
SCHEMBL15346309 0.82 ALDH1A1 (0.58) KDM4EALDH1A1ADRB2SCN8ASMN1; SMN2
SCHEMBL3433691 0.81 KDM4E (0.60) KDM4EALDH1A1SCN8AHTR1AADRA1D

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 6 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
CN-106431941-A DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE 雅盖隆大学 2017-02-22 CN disclosed
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 461/4885ATM 1728/4885
US-20110028562-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE ACHE, CNR2, SCN1A KDM4E 1944/4885ALDH1A1 541/4885ATM 1648/4885

“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.