SCHEMBL4808772

SCHEMBL4808772

CCOc1cc(-c2ccc(OCCOCc3ccccc3)cc2)ccc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.49
RARA P10276 1/20 0.49
ADRB3 P13945 5/20 0.47
ADRB1 P08588 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
PLA2G2A P14555 1/20 0.45
MAPT P10636 2/20 0.45
RAB9A P51151 1/20 0.45
MCL1 Q07820 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
CASP6 P55212 1/20 0.42
PPARG P37231 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
FFAR1 O14842 1/20 0.41
PPARD Q03181 1/20 0.41

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
SCHEMBL4815310 0.90 RARB (0.58) RARBRARAADRB3ADRB1RAB9A
SCHEMBL29032416 0.83 RAB9A (0.48) MAPTRAB9APOLBKDM4ELMNA
SCHEMBL29032428 0.80 MAOB (0.58) MAPTRAB9AL3MBTL1POLBLMNA
SCHEMBL3201763 0.80 MAOB (0.57) TDP1RAB9AKDM4ELMNA
SCHEMBL10280565 0.80 MCL1 (0.54) RAB9AMCL1LMNAFFAR1
SCHEMBL4819514 0.79 FFAR4 (0.43) TDP1MAPTL3MBTL1PPARGLMNA
SCHEMBL5195111 0.78 ALDH1A1 (0.54) TDP1MAPTRAB9APPARGKDM4E
SCHEMBL21924210 0.78 MAOB (0.54) RAB9AKDM4ELMNA
SCHEMBL30899820 0.77 MET (0.49) MAPTRAB9AL3MBTL1POLBKDM4E
SCHEMBL2260283 0.77 MEN1 (0.49) TDP1MAPTRAB9AL3MBTL1POLB

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 RARB 667/4885RARA 630/4885ADRB3 5/4885

“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.