SCHEMBL3263559

SCHEMBL3263559

O=C1CCC(=O)N1c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 4/20 0.45
KMT2A Q03164 4/20 0.45
HPGD P15428 6/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.40
CYP1A2 P05177 4/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39
RECQL P46063 1/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL718047 0.93 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AHPGDHSD17B10
Butyric Acid SCHEMBL1284593 0.85 KMT2A (0.47) ALDH1A1KDM4EKMT2AHPGDHSD17B10
SCHEMBL29634180 0.80 TLR9 (0.47) ALDH1A1KDM4EKMT2AHPGDHSD17B10
SCHEMBL21928 0.80 TLR9 (0.47) ALDH1A1KDM4EKMT2AHPGDHSD17B10
SCHEMBL29400184 0.80 TLR9 (0.47) ALDH1A1KDM4EKMT2AHPGDHSD17B10
SCHEMBL9151931 0.77 DDAH1 (0.41)
SCHEMBL890402 0.76 POLB (0.61) ALDH1A1KDM4EKMT2AHPGDHSD17B10
Acetonitrile SCHEMBL28436643 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AHPGDHSD17B10
SCHEMBL31248316 0.73 TSHR (0.54) ALDH1A1KMT2ATSHRMEN1
SCHEMBL6024354 0.72 CYP3A4 (0.47) ALDH1A1KDM4EKMT2AHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101156068-B Method for detecting misfolded proteins and prions ADLYFE INC 2015-03-18 CN claimed
EP-1412518-B1 SORTING AND IMMOBILIZATION SYSTEM FOR NUCLEIC ACIDS USING SYNTHETIC BINDING SYSTEMS NANOGEN RECOGNOMICS GMBH (DE) 2010-05-12 EP claimed
EP-1451366-B1 MOLECULAR DETECTION SYSTEMS UTILIZING REITERATIVE OLIGONUCLEOTIDE SYNTHESIS RIBOMED BIOTECHNOLOGIES INC (US) 2010-03-10 EP claimed
US-7541165-B2 Molecular detection systems utilizing reiterative oligonucleotide synthesis RIBOMED BIOTECHNOLOGIES, INC. (US) 2009-06-02 US claimed
CN-101156068-A Method for detecting misfolded proteins and prions ADLYFE INC (US) 2008-04-02 CN claimed
US-20050026150-A1 Molecular detection systems utilizing reiterative oligonucleotide synthesis RIBOMED BIOTECHNOLOGIES, INC. 2005-02-03 US claimed
US-20040175724-A1 Molecular detection systems utilizing reiterative oligonucleotide synthesis DESIGNER GENES, INC. 2004-09-09 US claimed
US-20040157257-A1 Abortive promoter cassettes RIBOMED BIOTECHNOLOGIES, INC. (US) 2004-08-12 US claimed
EP-1067134-B1 Hybridization of polynucleotides conjugated with chromophores and fluorophores to generate donor-to-donor energy transfer system NANOTRONICS INC (US) 2004-07-28 EP claimed
US-20040137461-A1 Molecular detection systems utilizing reiterative oligonucleotide synthesis DESIGNER GENES, INC. 2004-07-15 US claimed
US-20030099950-A1 Molecular detection systems utilizing reiterative oligonucleotide synthesis RIBOMED BIOTECHNOLOGIES, INC. 2003-05-29 US claimed
EP-0620822-B1 HYBRIDIZATION OF POLYNUCLEOTIDES CONJUGATED WITH CHROMOPHORES AND FLUOROPHORES TO GENERATE DONOR-TO-DONOR ENERGY TRANSFER SYSTEM NANOTRONICS INC (US) 2001-05-30 EP claimed
CN-109791157-A MEASUREMENT OF PROTEIN EXPRESSION USING REAGENTS WITH BARCODED OLIGONUCLEOTIDE SEQUENCES 赛卢拉研究公司 2019-05-21 CN disclosed
CN-109310700-A Treatment of extrapyramidal syndrome with trapidil 希诺皮亚生物科学公司 2019-02-05 CN disclosed
CN-104603290-B For detecting the nuclease protection assays of nucleotide diversity HTG分子诊断有限公司 2019-02-01 CN disclosed
CN-109069425-A Method and apparatus for preparing liposome by centrifugation 贝克顿·迪金森公司 2018-12-21 CN disclosed
US-20040137461-A1 Molecular detection systems utilizing reiterative oligonucleotide synthesis DESIGNER GENES, INC. 2004-07-15 US disclosed
US-20040054162-A1 Molecular detection systems utilizing reiterative oligonucleotide synthesis RIBOMED BIOTECHNOLOGIES, INC. 2004-03-18 US disclosed
US-20030099950-A1 Molecular detection systems utilizing reiterative oligonucleotide synthesis RIBOMED BIOTECHNOLOGIES, INC. 2003-05-29 US disclosed
US-6255083-B1 IMMOBILIZING TARGET NUCLEIC ACID, COMPLEMENTARY PRIMER AND ONE NUCLEIC ACID POLYMERASE ON SOLID SUPPORT; CONTACTING THE IMMOBILIZED COMPLEX WITH ONE TYPE OF LABELED NUCLEOTIDE TRIPHOSPHATE; DETECTING UNIQUE LABEL RELEASED FROM NUCLEOTIDE PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2001-07-03 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 (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-20040054162-A1 Molecular detection systems utilizing reiterative oligonucleotide synthesis POLRMT, RNGTT, POLI ALDH1A1 1772/4885KDM4E 4015/4885KMT2A 1607/4885
US-20050026150-A1 Molecular detection systems utilizing reiterative oligonucleotide synthesis POLRMT, RNGTT, POLR1G ALDH1A1 3904/4885KDM4E 4223/4885KMT2A 2793/4885

“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.