SCHEMBL6919191

SCHEMBL6919191

C=CCN(CC=C)C(=O)[C@@H](O)[C@H](O)C(=O)N(CC=C)CC=C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
DPP4 P27487 2/20 0.40
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.31
LMNA P02545 2/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
CCR6 P51684 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2446348 1.00 ALDH1A1 (0.48) ALDH1A1DPP4POLBSMN1; SMN2MAPT
SCHEMBL2446346 0.91 ALDH1A1 (0.42) ALDH1A1DPP4POLBSMN1; SMN2LMNA
SCHEMBL14521230 0.89 ALDH1A1 (0.41) ALDH1A1DPP4POLBSMN1; SMN2
SCHEMBL612188 0.89 ALDH1A1 (0.41) ALDH1A1DPP4POLBSMN1; SMN2
SCHEMBL4342168 0.86 ALDH1A1 (0.38) ALDH1A1DPP4POLBSMN1; SMN2
SCHEMBL16191438 0.84 ALDH1A1 (0.37) ALDH1A1DPP4POLBSMN1; SMN2
Acrylamide SCHEMBL7521468 0.84 ALDH1A1 (0.39) ALDH1A1DPP4POLB
SCHEMBL12610741 0.82 ALDH1A1 (0.38) ALDH1A1DPP4POLBSMN1; SMN2
SCHEMBL2187457 0.81 ALDH1A1 (0.45) ALDH1A1DPP4POLBSMN1; SMN2MAPT
SCHEMBL19717802 0.80 PDE4A (0.47) ALDH1A1DPP4POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818778-B2 HYDROLYSIS OF OCTAETHYL(-)-(18-CROWN-6)-2,3,11,12-TETRACARBOXAMIDE OBTAINED BY CONDENSATION OF N,N,N',N'-TETRAALKYL-D-TARTARAMIDE WITH DIHALO- OR DISULFONYLOXY- DIETHYL ETHER RSTECH CO., LTD. (KR) 2004-11-16 US claimed
US-20040044231-A1 Process for preparing (-)-(18-crown-6)-2,3,11,12-tetracarboxylic acid, and (-)-chiral stationary phases for resolution of racemic compounds using the same RSTECH CO., LTD. (KR) 2004-03-04 US claimed
WO-2002042288-A1 PROCESS FOR PREPARING (-)-(18-CROWN-6)-2,3,11,12-TETRACARBOXYLIC ACID, AND (-)-CHIRAL STATIONARY PHASES FOR RESOLUTION OF RACEMIC COMPOUNDS USING THE SAME RSTECH CO., LTD (KR) 2002-05-30 WO claimed
US-20070087936-A1 Recording medium and method of manufacturing inkjet recording medium FUJIFILM CORPORATION 2007-04-19 US disclosed
US-20070087936-A1 Recording medium and method of manufacturing inkjet recording medium FUJIFILM CORPORATION 2007-04-19 US disclosed
US-6818778-B2 HYDROLYSIS OF OCTAETHYL(-)-(18-CROWN-6)-2,3,11,12-TETRACARBOXAMIDE OBTAINED BY CONDENSATION OF N,N,N',N'-TETRAALKYL-D-TARTARAMIDE WITH DIHALO- OR DISULFONYLOXY- DIETHYL ETHER RSTECH CO., LTD. (KR) 2004-11-16 US disclosed
US-20040044231-A1 Process for preparing (-)-(18-crown-6)-2,3,11,12-tetracarboxylic acid, and (-)-chiral stationary phases for resolution of racemic compounds using the same RSTECH CO., LTD. (KR) 2004-03-04 US disclosed
WO-2002042288-A1 PROCESS FOR PREPARING (-)-(18-CROWN-6)-2,3,11,12-TETRACARBOXYLIC ACID, AND (-)-CHIRAL STATIONARY PHASES FOR RESOLUTION OF RACEMIC COMPOUNDS USING THE SAME RSTECH CO., LTD (KR) 2002-05-30 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 (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-20040044231-A1 Process for preparing (-)-(18-crown-6)-2,3,11,12-tetracarboxylic acid, and (-)-chiral stationary phases for resolution of racemic compounds using the same CCR6, CCR1, CCR9 ALDH1A1 519/4885DPP4 1501/4885POLB 3854/4885

“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.