SCHEMBL4813636

SCHEMBL4813636

CCOC(=O)c1ccc(-c2cc(C)c(OCCO)c(C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
CYP1A2 P05177 2/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL3193101 0.84 KMT2A (0.52) KMT2AGAAESR1ESR2LMNA
SCHEMBL4817969 0.84 HPGD (0.45) KMT2AGAACA12CA1CA2
SCHEMBL3182619 0.84 RXRA (0.53)
SCHEMBL3196742 0.82 KCNH2 (0.64) GAACA12CA1CA2CA7
SCHEMBL1965326 0.79 CA1 (0.73) KMT2ACA12CA1CA2CA7
SCHEMBL16351874 0.79 CA1 (0.73) KMT2ACA12CA1CA2CA7
SCHEMBL3203148 0.79 TDP1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL5308531 0.79 CA12 (0.58) KMT2ACA12CA1CA2CA7
SCHEMBL6867384 0.79 TDP1 (0.64) GAACA12CA1CA2CA7
SCHEMBL4816375 0.78 GAA (0.43) KMT2AGAAHSD17B10CA12CA1

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 KMT2A 1842/4885GAA 4363/4885HSD17B10 118/4885

“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.