SCHEMBL3678281

SCHEMBL3678281

CCOC(=O)C(C(C)=O)=C(C)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.50
ALDH1A1 P00352 6/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX15 P16050 1/20 0.44
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
TRPA1 O75762 1/20 0.36
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FAAH O00519 2/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 2/20 0.34

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
SCHEMBL3678277 1.00 GLO1 (0.50) GLO1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL2357523 1.00 GLO1 (0.50) GLO1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL223388 0.90 ALDH1A1 (0.50) GLO1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL17827812 0.87 GLO1 (0.56) GLO1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL4519435 0.87 ALDH1A1 (0.52) GLO1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL1085142 0.86 GLO1 (0.47) GLO1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL1085140 0.86 GLO1 (0.47) GLO1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL1085139 0.86 GLO1 (0.47) GLO1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL9794499 0.84 ALDH1A1 (0.44) GLO1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL9794502 0.84 ALDH1A1 (0.44) GLO1ALDH1A1LMNAHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067921-B2 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION (US) 2015-06-30 US disclosed
US-20140155404-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION (US) 2014-06-05 US disclosed
US-8680104-B2 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION (US) 2014-03-25 US disclosed
EP-1734966-B1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORP (US) 2013-07-31 EP disclosed
US-20120295912-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION (US) 2012-11-22 US disclosed
US-8268826-B2 5-({4-[(3S)-4-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl}carbonyl)-4,6-dimethylpyrimidine; inflammatory diseases, immune diseases and viral infections; HIV INCYTE CORPORATION (US) 2012-09-18 US disclosed
US-7678798-B2 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION (US) 2010-03-16 US disclosed
US-20090197887-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION 2009-08-06 US disclosed
EP-1734966-A4 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORP (US) 2009-04-22 EP disclosed
US-20080009622-A1 METHOD FOR PRODUCING PYRIMIDINE COMPOUND AJINOMOTO CO., INC. (JP) 2008-01-10 US disclosed
US-7161024-B2 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters SCHERING CORPORATION (US) 2007-01-09 US disclosed
US-7161024-B2 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters SCHERING CORPORATION (US) 2007-01-09 US disclosed
US-7161024-B2 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters SCHERING CORPORATION (US) 2007-01-09 US disclosed
EP-1734966-A2 PIPERIZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS Incyte Corporation (US) 2006-12-27 EP disclosed
EP-1644313-A2 PROCESS FOR THE PREPARATION AND PURIFICATION OF 2-(ALKOXYALKYLIDENE)-3-KETOALKANOIC ACID ESTERS FROM 3-KETOALKANOIC ACID ESTERS SCHERING CORPORATION (US) 2006-04-12 EP disclosed
US-20050261310-A1 Piperazinylpiperidine derivatives as chemokine receptor antagonists INCYTE CORPORATION 2005-11-24 US disclosed
WO-2005101838-A2 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS INCYTE CORPORATION (US) 2005-10-27 WO disclosed
US-20050027140-A1 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters SCHERING CORPORATION 2005-02-03 US disclosed
WO-2005007608-A2 PROCESS FOR THE PREPARATION AND PURIFICATION OF 2-(ALKOXYALKYLIDENE)-3-KETOALKANOIC ACID ESTERS FROM 3-KETOALKANOIC ACID ESTERS SCHERING CORPORATION (US) 2005-01-27 WO disclosed
WO-2004067513-A1 ANTAGONISTS FOR ALPHA-2 ADRENOCEPTORS OY JUVANTIA PHARMA LTD (FI) 2004-08-12 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 (6 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-20050027140-A1 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters ACKR3, CCR5, CCRL2 GLO1 3455/4885ALDH1A1 437/4885LMNA 3977/4885
US-20080009622-A1 METHOD FOR PRODUCING PYRIMIDINE COMPOUND TYMS, TYMP, UMPS GLO1 2527/4885ALDH1A1 1676/4885LMNA 3372/4885
US-20050261310-A1 Piperazinylpiperidine derivatives as chemokine receptor antagonists CCR5, CCR2, CXCR5 GLO1 4872/4885ALDH1A1 1435/4885LMNA 4812/4885
US-20140155404-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS CCR5, CCR2, CXCR5 GLO1 4872/4885ALDH1A1 1435/4885LMNA 4812/4885
US-20120295912-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS CCR5, CCR2, CXCR5 GLO1 4872/4885ALDH1A1 1435/4885LMNA 4812/4885
US-20090197887-A1 PIPERAZINYLPIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS CCR5, CCR2, CXCR5 GLO1 4872/4885ALDH1A1 1435/4885LMNA 4812/4885

“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.