SCHEMBL4807963

SCHEMBL4807963

CCOC(=O)c1ccc(-c2ccc(OCCO)cc2)c(C(=O)OCC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
LMNA P02545 2/20 0.48
HSD17B10 Q99714 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PTPN11 Q06124 1/20 0.48
NR1I2 O75469 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TP53 P04637 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL4808100 0.88 TDP1 (0.53) TDP1L3MBTL1KCNH2HRH3LMNA
SCHEMBL4815891 0.87 HSD17B10 (0.49) TDP1L3MBTL1LMNAHSD17B10CA12
SCHEMBL3196742 0.84 KCNH2 (0.64) TDP1L3MBTL1KCNH2HRH3LMNA
SCHEMBL6867384 0.84 TDP1 (0.64) TDP1L3MBTL1KCNH2HRH3LMNA
SCHEMBL18442307 0.83 KDM4E (0.57) NPC1RAB9APTPN11CA1CA2
SCHEMBL17485685 0.83 RARB (0.56) LMNAHSD17B10NPC1RAB9APTPN11
SCHEMBL7139175 0.80 PTPN11 (0.56) TDP1L3MBTL1KCNH2HRH3LMNA
SCHEMBL12050164 0.80 IMPDH2 (0.62) HSD17B10CA12CA1CA2CA7
SCHEMBL25287265 0.78 HSD17B2 (0.50) TDP1L3MBTL1KCNH2HRH3LMNA
SCHEMBL25248481 0.78 HSD17B2 (0.50) TDP1L3MBTL1KCNH2HRH3LMNA

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 TDP1 4423/4885L3MBTL1 1968/4885KCNH2 491/4885

“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.