SCHEMBL1195532

SCHEMBL1195532

Cc1cccc(Cl)c1OCC(=O)NCCCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.54
▸ KMT2A Q03164 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ ATM Q13315 2/20 0.45
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ LGALS1 P09382 1/20 0.43
▸ USP2 O75604 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ALOX12 P18054 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
SCHEMBL9501831 0.81 POLB (0.56) TSHRKMT2AL3MBTL1MAPTHPGD
SCHEMBL1887188 0.79 KMT2A (0.77) KMT2AL3MBTL1MAPTHTTPOLB
SCHEMBL15346345 0.77 KMT2A (0.52) TSHRKMT2AMAPTATMHPGD
SCHEMBL14694179 0.76 TSHR (0.52) TSHRKMT2ANPSR1L3MBTL1MAPT
SCHEMBL15346484 0.75 KMT2A (0.50) TSHRKMT2AMAPTATMHPGD
SCHEMBL14499030 0.75 KMT2A (0.58) KMT2AL3MBTL1MAPTATMALDH1A1
SCHEMBL1195272 0.74 HSD17B10 (0.53) TSHRKMT2AL3MBTL1MAPTTP53
SCHEMBL7396981 0.74 TSHR (0.62) TSHRKMT2ANPSR1L3MBTL1ATM
SCHEMBL3401096 0.74 HSD17B10 (0.53) TSHRKMT2AL3MBTL1MAPTTP53
SCHEMBL1194721 0.74 HSD17B10 (0.53) TSHRKMT2AL3MBTL1MAPTTP53

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-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
EP-2247571-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE Uniwersytet Jagiellonski (PL) 2010-11-10 — — EP disclosed
WO-2009093916-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2009-07-30 — — 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-20130289118-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE SCN1A, SCN3A, ACHE TSHR 4365/4885KMT2A 1734/4885NPSR1 611/4885
US-20110028562-A1 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE ACHE, CNR2, SCN1A TSHR 4498/4885KMT2A 1305/4885NPSR1 687/4885

“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.

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