SCHEMBL5404636

SCHEMBL5404636

C=CCCCOc1ccc(N=C=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
FURIN P09958 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 2/20 0.35
ESR1 P03372 1/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 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
SCHEMBL1493053 0.84 CYP3A4 (0.52) ALDH1A1L3MBTL1CYP3A4TSHRFURIN
SCHEMBL10341873 0.84 CYP3A4 (0.52) L3MBTL1CYP3A4TSHRFURINCYP1A2
SCHEMBL27683603 0.84 CYP3A4 (0.42) ALDH1A1L3MBTL1CYP3A4TSHRFURIN
SCHEMBL7602206 0.83 TSHR (0.50) L3MBTL1CYP3A4TSHRFURINHDAC1
SCHEMBL10703892 0.83 TSHR (0.50) L3MBTL1CYP3A4TSHRFURINHDAC1
SCHEMBL10341829 0.82 CYP3A4 (0.54) ALDH1A1L3MBTL1CYP3A4TSHRFURIN
SCHEMBL3070544 0.81 CYP3A4 (0.50) ALDH1A1L3MBTL1CYP3A4TSHRFURIN
SCHEMBL2454654 0.81 CA12 (0.49) ALDH1A1CYP3A4TSHRHPGDLMNA
SCHEMBL414168 0.80 CYP1A2 (0.50) CYP3A4TSHRCYP1A2CYP2C9CYP19A1
SCHEMBL7898652 0.78 TSHR (0.46) L3MBTL1CYP3A4TSHRFURINGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6342592-B1 FUNCTIONALIZED ALKENOXYARYL OR ALKENYLARYLOXYARYL COMPOUND; SEPARATING ENANTIOMORPHS USING THREE-DIMENSIONAL NETWORKS; CHROMATOGRAPHY INSTITUT FRANCAIS DU PETROLE AND CHIRALSEP (FR) 2002-01-29 US claimed
US-7230123-B2 Ureido or carbamate derivatives of crown ethers and of silicon usable for preparing supports intended for the separation by chromatography of metal cations and of organic molecules comprising amine functional groups COMMISSARIAT A L'ENERGIR ATOMIQUE (FR) 2007-06-12 US disclosed
US-7230123-B2 Ureido or carbamate derivatives of crown ethers and of silicon usable for preparing supports intended for the separation by chromatography of metal cations and of organic molecules comprising amine functional groups COMMISSARIAT A L'ENERGIR ATOMIQUE (FR) 2007-06-12 US disclosed
EP-1483272-B1 UREA OR CARBAMATE DERIVATIVES OF CROWN ETHERS AND SILICON USEFUL FOR THE PREPARATION OF SUPPORTS FOR CHROMATOGRAPHIC SEPARATION OF METAL CATIONS AND ORGANIC MOLECULES COMPRISING AN AMINO FUNCTION COMMISSARIAT ENERGIE ATOMIQUE (FR) 2006-01-11 EP disclosed
US-20050143587-A1 Ureido or carbamate derivatives of crown ethers and of silicon usable for preparing supports intended for the separation by chromatography of metal cations and of organic molecules comprising amine functional groups COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2005-06-30 US disclosed
EP-1483272-A1 UREA OR CARBAMATE DERIVATIVES OF CROWN ETHERS AND SILICON USEFUL FOR THE PREPARATION OF SUPPORTS FOR CHROMATOGRAPHIC SEPARATION OF METAL CATIONS AND ORGANIC MOLECULES COMPRISING AN AMINO FUNCTION Commissariat à l'Energie Atomique (FR) 2004-12-08 EP disclosed
WO-2003062250-A1 UREA OR CARBAMATE DERIVATIVES OF CROWN ETHERS AND SILICON USEFUL FOR THE PREPARATION OF SUPPORTS FOR CHROMATOGRAPHIC SEPARATION OF METAL CATIONS AND ORGANIC MOLECULES COMPRISING AN AMINO FUNCTION COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2003-07-31 WO disclosed
EP-0864586-B1 Chiral supports and use thereof in the preparation or separation of enantiomers INST FRANCAIS DU PETROLE (FR) 2002-04-03 EP disclosed
US-6342592-B1 FUNCTIONALIZED ALKENOXYARYL OR ALKENYLARYLOXYARYL COMPOUND; SEPARATING ENANTIOMORPHS USING THREE-DIMENSIONAL NETWORKS; CHROMATOGRAPHY INSTITUT FRANCAIS DU PETROLE AND CHIRALSEP (FR) 2002-01-29 US 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-20050143587-A1 Ureido or carbamate derivatives of crown ethers and of silicon usable for preparing supports intended for the separation by chromatography of metal cations and of organic molecules comprising amine functional groups UTS2R, SRM, SMOX ALDH1A1 3701/4885L3MBTL1 4661/4885CYP3A4 1272/4885

“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.