SCHEMBL387330

SCHEMBL387330

CC1(C)OB(c2ccc(OCC3CCCCC3)cc2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.47
PARP10 Q53GL7 4/20 0.47
HIF1A Q16665 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
FFAR1 O14842 1/20 0.43
HPGD P15428 2/20 0.43
GRM2 Q14416 3/20 0.43
LPL P06858 2/20 0.42
LIPG Q9Y5X9 2/20 0.42
PARP2 Q9UGN5 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
DGAT1 O75907 1/20 0.40

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
SCHEMBL22815569 0.99 PARP15 (0.46) PARP15PARP10HIF1ACA1CA2
SCHEMBL14480739 0.96 PARP15 (0.46) PARP15PARP10HIF1ACA1CA2
SCHEMBL21509219 0.93 CA1 (0.48) PARP15PARP10HIF1ACA1CA2
SCHEMBL16622998 0.86 TDP1 (0.57) CA1CA2CA9LPLLIPG
SCHEMBL26036118 0.85 LPL (0.46) PARP15PARP10HIF1ACA1CA2
SCHEMBL4664263 0.85 CXCR1 (0.46) CA1CA2CA9MAOAMAOB
SCHEMBL16572193 0.84 CA1 (0.46) HIF1ACA1CA2CA9LPL
SCHEMBL18706570 0.84 TLR4 (0.44) PARP15PARP10HIF1ALPLLIPG
SCHEMBL24658454 0.83 APP (0.52) HIF1ACA1CA2CA9LPL
SCHEMBL22820134 0.82 LPL (0.43) PARP15PARP10HIF1ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090326038-A1 Method for treating a immunology-related disease SANKYO COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-7638551-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2009-12-29 US disclosed
EP-1471054-B1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE DAIICHI SANKYO CO LTD (JP) 2009-07-01 EP disclosed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
US-20070105933-A1 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-05-10 US disclosed
US-7199150-B2 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these SANKYO COMPANY, LIMITED (JP) 2005-02-24 US disclosed
EP-1471054-A1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE Sankyo Company, Limited (JP) 2004-10-27 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 (5 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-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT PARP15 2903/4885PARP10 2051/4885HIF1A 1588/4885
US-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 PARP15 4055/4885PARP10 2748/4885HIF1A 1725/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB PARP15 2433/4885PARP10 927/4885HIF1A 1275/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 PARP15 2362/4885PARP10 1357/4885HIF1A 1862/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A PARP15 3040/4885PARP10 1159/4885HIF1A 3736/4885

“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.