SCHEMBL3258454

SCHEMBL3258454

[CH2]C(=O)N(CC=C)CC=C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.36
DPP4 P27487 2/20 0.35
LMNA P02545 4/20 0.35
MAPT P10636 1/20 0.33
HPGD P15428 2/20 0.33
ALOX12 P18054 1/20 0.33
CCR6 P51684 1/20 0.33
CYP1A2 P05177 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL569156 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBDPP4LMNA
SCHEMBL13786 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBDPP4LMNA
SCHEMBL88004 0.77 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBDPP4LMNA
SCHEMBL88005 0.77 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBDPP4LMNA
SCHEMBL2362353 0.76 ZDHHC20 (0.46) ALDH1A1HPGD
SCHEMBL692534 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBDPP4LMNA
SCHEMBL173228 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBDPP4LMNA
SCHEMBL8845450 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBDPP4LMNA
SCHEMBL7156751 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBDPP4LMNA
SCHEMBL49389 0.74 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBDPP4LMNA

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-20100099875-A1 NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS PHOSPHOENIX SARL (FR) 2010-04-22 US claimed
US-5859190-A SOLID PHASE SYNTHESIS TO FORM A PROTECTED DIPEPTIDE FOLLOWED BY REACTING WITH 1,1'-THIOCARBONYLDIIMIDAZOLE TO EFFECT RING FORMATION; EFFICIENCY; ANTICONVULSANT,-ARRHYTHMIC AND DIABETIC AGENTS; HERBICIDES AND FUNGICIDES TREGA BIOSCIENCES, INC. (US) 1999-01-12 US claimed
WO-1998033776-A1 COMBINATORIAL LIBRARIES OF HYDANTOIN AND THIOHYDANTOIN DERIVATIVES, METHODS OF MAKING THE LIBRARIES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
US-5705499-A VIRICIDES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1998-01-06 US claimed
US-5620974-A ENZYME INHIBITOR, TREATS ACQUIRED IMMUNE DEFICIENCY SYNDROME(AIDS) BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-04-15 US claimed
EP-0767172-A1 8-Arylalkyl- and 8-arylheteroalkyl-5, 11-dihydro-6H-dipyrido-[3,2-b:2', 3'-e][1,4]diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1997-04-09 EP claimed
JP-5255248-A None JP disclosed
US-8569267-B2 Tetracyclic tetrahydrofuran derivatives containing cyclic amine side chain JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US disclosed
US-20100099875-A1 NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS PHOSPHOENIX SARL (FR) 2010-04-22 US disclosed
EP-1896456-B1 NOVEL TETRACYCLIC TETRAHYDROFURAN DERIVATIVES CONTAINING A CYCLIC AMINE SIDE CHAIN JANSSEN PHARMACEUTICA NV (BE) 2010-03-10 EP disclosed
US-7531655-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain JANSSEN PHARMACEUTICA, NV (BE) 2008-10-23 US disclosed
EP-1556376-B1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-16 EP disclosed
US-5859190-A SOLID PHASE SYNTHESIS TO FORM A PROTECTED DIPEPTIDE FOLLOWED BY REACTING WITH 1,1'-THIOCARBONYLDIIMIDAZOLE TO EFFECT RING FORMATION; EFFICIENCY; ANTICONVULSANT,-ARRHYTHMIC AND DIABETIC AGENTS; HERBICIDES AND FUNGICIDES TREGA BIOSCIENCES, INC. (US) 1999-01-12 US disclosed
WO-1998033776-A1 COMBINATORIAL LIBRARIES OF HYDANTOIN AND THIOHYDANTOIN DERIVATIVES, METHODS OF MAKING THE LIBRARIES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO disclosed
US-5705499-A VIRICIDES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1998-01-06 US disclosed
US-5620974-A ENZYME INHIBITOR, TREATS ACQUIRED IMMUNE DEFICIENCY SYNDROME(AIDS) BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-04-15 US disclosed
EP-0767172-A1 8-Arylalkyl- and 8-arylheteroalkyl-5, 11-dihydro-6H-dipyrido-[3,2-b:2', 3'-e][1,4]diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1997-04-09 EP disclosed
US-5366972-A 5,11-dihydro-6H-dipyrido(3,2-B:2',3'-E)(1,4)diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1994-11-22 US disclosed
JP-H05255248-A NEW DERIVATIVE OF 1,2,5,6-TETRAHYDROPYRIDINE-3-CARBOXALDEHYDEOXIME, ITS MANUFACTURE AND USE AS DRUG ROUSSEL UCLAF 1993-10-05 JP 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 (2 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-20100099875-A1 NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS PNP, NANP, PHOSPHO1 ALDH1A1 834/4885SMN1; SMN2 3511/4885POLB 1626/4885
US-20080262076-A1 Novel Tetracyclic Tetrahydrofuran Derivatives Containing Cyclic Amine Side Chain HTR2C, HTR2A, HTR5A ALDH1A1 848/4885SMN1; SMN2 1902/4885POLB 3244/4885

“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.