SCHEMBL351586

SCHEMBL351586

COC(=O)[C@H]1CCC[C@@H](CO)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM3 P20309 1/20 0.38
TP53 P04637 1/20 0.36
EPHX1 P07099 1/20 0.35
POLB P06746 1/20 0.35
ANPEP P15144 1/20 0.35
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSD11B1 P28845 1/20 0.34
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33

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
SCHEMBL351588 1.00 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL13163204 1.00 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL351587 1.00 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL1660232 0.89 CHRNB2 (0.41) ALDH1A1SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL1660231 0.89 CHRNB2 (0.41) ALDH1A1SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL3288516 0.89 CHRNB2 (0.41) ALDH1A1SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL17835255 0.87 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL9633431 0.87 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL31196542 0.85 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL13163202 0.84 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2CHRNB2CHRNA4CHRNB4

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10100043-B2 Substituted aldehyde compounds and methods for their use in increasing tissue oxygenation GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-10-16 US disclosed
US-20160039801-A1 SUBSTITUTED ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION CYTOKINETICS, INC. (US) 2016-02-11 US disclosed
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
CN-100439345-C (3- (2-phenyl-oxazol-4-ylmethoxy)-cyclohexylmethoxy acetic acid derivatives and related compounds as ppar modulators for treating diabetes of type 2 and atherosclerosis. SANNOFFE AVENTIS PHARMA GMBH (DE) 2008-12-03 CN disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20060293345-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2006-12-28 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed
US-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 US disclosed
CN-1753879-A 3- (2-phenyl-oxazol-4-ylmethoxy) cyclohexyl methoxyacetic acid derivatives and related compounds as PPAR modulators for the treatment of type 2 diabetes and atherosclerosis SANNOFFE AVENTIS PHARMA GMBH (DE) 2006-03-29 CN disclosed
US-20050101637-A1 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-05-12 US disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 WO 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 (9 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-10100043-B2 Substituted aldehyde compounds and methods for their use in increasing tissue oxygenation HBB, MB, HBG2 ALDH1A1 17/4885SMN1; SMN2 902/4885CHRNB2 2017/4885
US-20160039801-A1 SUBSTITUTED ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, MB, HBG2 ALDH1A1 17/4885SMN1; SMN2 902/4885CHRNB2 2017/4885
US-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 ALDH1A1 3346/4885SMN1; SMN2 4536/4885CHRNB2 4816/4885
US-20060293345-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, MMP10 ALDH1A1 1873/4885SMN1; SMN2 4487/4885CHRNB2 4831/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885SMN1; SMN2 4594/4885CHRNB2 4856/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 ALDH1A1 1806/4885SMN1; SMN2 4594/4885CHRNB2 4856/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885SMN1; SMN2 4594/4885CHRNB2 4856/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1806/4885SMN1; SMN2 4594/4885CHRNB2 4856/4885
US-20050101637-A1 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals GPR119, PC, CPT1A ALDH1A1 212/4885SMN1; SMN2 1912/4885CHRNB2 2144/4885

“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.