SCHEMBL4819486

SCHEMBL4819486

CCOC(=O)c1ccc(-c2ccc(OCCO)cc2)cc1OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL6501061 0.85 TSHR (0.53) NPC1LMNARAB9AHSD17B10ALDH1A1
SCHEMBL31325086 0.80 CA12 (0.46) RAB9AHSD17B10TDP1L3MBTL1KDM4E
SCHEMBL3196742 0.80 KCNH2 (0.64) LMNAKCNH2HRH3TDP1L3MBTL1
SCHEMBL10946326 0.79 CA12 (0.65) LMNARAB9AHSD17B10TDP1L3MBTL1
SCHEMBL4807963 0.77 TDP1 (0.52) NPC1LMNARAB9AHSD17B10KCNH2
SCHEMBL4821099 0.77 TDP1 (0.50) NPC1RAB9AHSD17B10TDP1KDM4E
SCHEMBL1546951 0.77 KMT2A (0.57) NPC1LMNARAB9ATDP1L3MBTL1
SCHEMBL25287265 0.77 HSD17B2 (0.50) LMNAHSD17B10KCNH2HRH3TDP1
SCHEMBL25248481 0.77 HSD17B2 (0.50) LMNAHSD17B10KCNH2HRH3TDP1
SCHEMBL1515799 0.76 TSHR (0.52) NPC1LMNARAB9AHSD17B10TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 US disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 EP 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 (1 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-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A NPC1 3071/4885LMNA 3859/4885RAB9A 577/4885

“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.