SCHEMBL4809404

SCHEMBL4809404

COC(=O)c1c(C)cc(-c2ccc(OCCO)cc2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAB9A P51151 1/20 0.44
GAA P10253 3/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RECQL P46063 2/20 0.44
ALPL P05186 1/20 0.43
CYP3A4 P08684 2/20 0.42
LMNA P02545 1/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
DHODH Q02127 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 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
SCHEMBL4808847 0.85 DHODH (0.48) L3MBTL1GAAALDH1A1RECQLPPARG
SCHEMBL4815351 0.80 L3MBTL1 (0.46) MAPTTDP1L3MBTL1RAB9AGAA
SCHEMBL4815928 0.80 MAPT (0.77) MAPTTDP1L3MBTL1RAB9AGAA
SCHEMBL64651 0.76 MAPT (0.82) MAPTTDP1L3MBTL1RAB9AGAA
SCHEMBL6001702 0.76 MAPT (0.51) MAPTTDP1L3MBTL1RAB9AGAA
SCHEMBL10084150 0.75 THRB (0.52) MAPTRAB9AHPGDALPLCYP3A4
SCHEMBL13079624 0.75 ALDH1A1 (0.60) L3MBTL1GAAALDH1A1RECQLCYP3A4
SCHEMBL20805871 0.75 MAPT (0.68) MAPTTDP1L3MBTL1RAB9AGAA
SCHEMBL17459529 0.73 GABRA1 (0.50) TDP1L3MBTL1GAAHPGDALDH1A1
SCHEMBL2719660 0.73 PPARD (0.52) TDP1L3MBTL1GAAALDH1A1RECQL

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 MAPT 3469/4885TDP1 4423/4885L3MBTL1 1968/4885

“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.