SCHEMBL5960652

SCHEMBL5960652

COc1c2occc2c(CN)c2ccc(=O)oc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.74
KDM4E B2RXH2 6/20 0.74
CYP1A2 P05177 5/20 0.74
CYP1A1 P04798 5/20 0.74
CYP1B1 Q16678 4/20 0.74
HPGD P15428 3/20 0.74
POLB P06746 1/20 0.74
ALDH1A1 P00352 6/20 0.63
ALOX15 P16050 1/20 0.63
KCNA2 P16389 2/20 0.57
MAPT P10636 3/20 0.56
ABCB1 P08183 1/20 0.56
BACE1 P56817 3/20 0.53
CYP2D6 P10635 3/20 0.52
CYP2C19 P33261 3/20 0.52
MAOA P21397 3/20 0.52
CYP2A6 P11509 2/20 0.52
TSHR P16473 2/20 0.52
PDE4A P27815 2/20 0.52
MAPK1 P28482 2/20 0.52

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
SCHEMBL2383938 0.86 CYP3A4 (0.74) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL6200404 0.86 CYP3A4 (0.74) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
Isopimpinellin SCHEMBL498907 0.85 CYP3A4 (1.00) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
Isopimpinellin SCHEMBL29568822 0.85 CYP3A4 (1.00) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL20278781 0.84 CYP3A4 (0.80) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL434686 0.81 CYP3A4 (0.80) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL4187228 0.81 CYP3A4 (0.80) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL31542614 0.81 CYP3A4 (0.80) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
SCHEMBL5346577 0.80 CYP3A4 (0.64) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1
Hydrochloric Acid SCHEMBL6196679 0.79 CYP3A4 (0.62) CYP3A4KDM4ECYP1A2CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5707808-A Optical selection and collection of DNA fragments THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-01-13 US claimed
US-7078389-B2 Chemically modified oligonucleotide for site-directed mutagenesis YALE UNIVERSITY (US) 2006-07-18 US disclosed
US-6924373-B2 comprising a furocoumarin derivative linked to acridinium-9-carboxamide via amide bond at position 9; for chemiluminescent labeling of a nucleic acid ASIAGEN CORPORATION (TW) 2005-08-02 US disclosed
US-6858742-B2 DNA labeling reagents, acridinium-9-carboxamide derivatives and process of preparing DNA labeling compounds ASIAGEN CORPORATION (TW) 2005-02-22 US disclosed
US-20040219564-A1 DNA labeling reagents, acridinium-9-carboxamide derivatives and process of preparing DNA labeling compounds ASIAGEN CORPORATION (TW) 2004-11-04 US disclosed
US-20040219538-A1 DNA labeling reagents, acridinium-9-carboxamide derivatives and process of preparing DNA labeling compounds ASIAGEN CORPORATION 2004-11-04 US disclosed
US-20020028922-A1 Chemically modified oligonucleotide for site-directed mutagenesis YALE UNIVERSITY 2002-03-07 US disclosed
EP-0862564-A4 PHOTOACTIVATABLE COMPOUNDS FOR THE PREVENTION OF INTIMAL HYPERPLASIA AND OTHER DISEASES MIRAVANT SYST INC (US) 2001-06-27 EP disclosed
US-6054449-A PHOTODYNAMIC THERAPY MIRAVANT PHARMACEUTICALS, INC. (US) 2000-04-25 US disclosed
US-6008211-A A PHOTODYNAMIC THERAPY USING A FUNCTIONAL FUROCOUMARIN CONJUGATED WITH A PHOTOSENSITIVE BENZOCHLORIN COMPOUND, WHICH CAUSES CYTOSTASIS BUT NOT CYTOLYSIS WHEN BOUND TO A CELL WHEN ACTIVATED WITH LIGHT; TARGET DRUG DELIVERY PDT PHARMACEUTICALS, INC. (US) 1999-12-28 US disclosed
US-5616731-A WITH A FUROCOUMARIN DERIVATIVE BOUND VIA A SPACER; USEFUL IN DETECTING GENE DEFECTS AND INFECTIOUS DISEASES BAYER AKTIENGESELLSCHAFT (DE) 1997-04-01 US disclosed
WO-1997005127-A1 PHOTOACTIVATABLE COMPOUNDS FOR THE PREVENTION OF INTIMAL HYPERPLASIA AND OTHER DISEASES PDT SYSTEMS, INC. (US) 1997-02-13 WO disclosed
WO-1996039195-A2 CHEMICALLY MODIFIED OLIGONUCLEOTIDE FOR SITE-DIRECTED MUTAGENESIS YALE UNIVERSITY (US) 1996-12-12 WO disclosed
EP-0705270-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDE FOR SITE-DIRECTED MUTAGENESIS YALE UNIVERSITY (US) 1996-04-10 EP disclosed
WO-1995001364-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDE FOR SITE-DIRECTED MUTAGENESIS YALE UNIVERSITY (US) 1995-01-12 WO disclosed
WO-1993010266-A1 DEVICE AND METHOD FOR DETECTION OF COMPOUNDS WHICH INTERCALATE WITH NUCLEIC ACIDS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, UNITED STATES DEPARTMENT OF COMMERCE (US) 1993-05-27 WO disclosed
EP-0425563-A4 PROCESS FOR AMPLIFYING AND DETECTING NUCLEIC ACID SEQUENCES 1992-06-10 EP disclosed
EP-0425563-A1 PROCESS FOR AMPLIFYING AND DETECTING NUCLEIC ACID SEQUENCES. SEGEV DIAGNOSTICS INC (US) 1991-05-08 EP disclosed
WO-1990001069-A1 PROCESS FOR AMPLIFYING AND DETECTING NUCLEIC ACID SEQUENCES SEGEV DIAGNOSTICS, INC. (US) 1990-02-08 WO disclosed
EP-0187332-B1 PHOTOCHEMICAL METHOD OF LABELLING NUCLEIC ACIDS FOR DETECTION IN HYBRIDIZATION ASSAYS MOLECULAR DIAGNOSTICS, INC. (US) 1989-02-01 EP 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-20040219538-A1 DNA labeling reagents, acridinium-9-carboxamide derivatives and process of preparing DNA labeling compounds DNMT1, ACR, DNMT3A CYP3A4 125/4885KDM4E 957/4885CYP1A2 355/4885
US-20040219564-A1 DNA labeling reagents, acridinium-9-carboxamide derivatives and process of preparing DNA labeling compounds DNMT1, ACR, DNMT3A CYP3A4 125/4885KDM4E 957/4885CYP1A2 355/4885

“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.