SCHEMBL4400929

SCHEMBL4400929

Cc1cc(C(=O)c2ccccc2)c(C)cc1C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.57
CYP2C8 P10632 1/20 0.57
CYP2C9 P11712 1/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 2/20 0.56
ATM Q13315 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SRD5A2 P31213 1/20 0.54
CES2 O00748 2/20 0.53
CES1 P23141 2/20 0.53
HPGD P15428 2/20 0.53
GAA P10253 2/20 0.52
MAPT P10636 1/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
KMT2A Q03164 1/20 0.52
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
POLB P06746 1/20 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
SCHEMBL6459498 0.96 ALDH1A1 (0.58) AKR1C3CYP2C8CYP2C9KDM4EALDH1A1
SCHEMBL29530654 0.96 ALDH1A1 (0.58) AKR1C3CYP2C8CYP2C9KDM4EALDH1A1
SCHEMBL7915439 0.93 CYP2C8 (0.60) AKR1C3CYP2C8CYP2C9KDM4EALDH1A1
SCHEMBL11483510 0.90 MEN1 (0.53) AKR1C3CYP2C8CYP2C9KDM4EALDH1A1
SCHEMBL18940467 0.90 ALDH1A1 (0.49) AKR1C3CYP2C8CYP2C9KDM4EALDH1A1
SCHEMBL17009656 0.89 MAPT (0.57) AKR1C3CYP2C8CYP2C9KDM4EALDH1A1
SCHEMBL1667151 0.88 ALDH1A1 (0.59) AKR1C3CYP2C8CYP2C9KDM4EALDH1A1
SCHEMBL12337417 0.85 ALDH1A1 (0.61) AKR1C3CYP2C8CYP2C9KDM4EALDH1A1
SCHEMBL8785619 0.85 KDM4E (0.61) AKR1C3CYP2C8CYP2C9KDM4EALDH1A1
SCHEMBL11699182 0.85 CES2 (0.49) AKR1C3CYP2C8CYP2C9KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242162-B2 Sensor group attachec to imide of aromatictetracarboxylic dianhydride; aromatic core may be anthracene, phenanthrene, perylene, or benzo[e]pyrene; sensor groups include crown ethers, aryl amines, porphyrins, and phenylboronic acid; detecting nitroaromatic explosives and chemical warfare agents OHIO AEROSPACE INSTITUTE (US) 2012-08-14 US disclosed
US-8242162-B2 Sensor group attachec to imide of aromatictetracarboxylic dianhydride; aromatic core may be anthracene, phenanthrene, perylene, or benzo[e]pyrene; sensor groups include crown ethers, aryl amines, porphyrins, and phenylboronic acid; detecting nitroaromatic explosives and chemical warfare agents OHIO AEROSPACE INSTITUTE (US) 2012-08-14 US disclosed
US-8242162-B2 Sensor group attachec to imide of aromatictetracarboxylic dianhydride; aromatic core may be anthracene, phenanthrene, perylene, or benzo[e]pyrene; sensor groups include crown ethers, aryl amines, porphyrins, and phenylboronic acid; detecting nitroaromatic explosives and chemical warfare agents OHIO AEROSPACE INSTITUTE (US) 2012-08-14 US disclosed
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 US disclosed
US-20100102305-A1 MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2010-04-29 US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 US disclosed
US-20080242870-A1 FLUORESCENT AROMATIC SENSORS AND THEIR METHODS OF USE OHIO AEROSPACE INSTITUTE (US) 2008-10-02 US disclosed
US-20080242870-A1 FLUORESCENT AROMATIC SENSORS AND THEIR METHODS OF USE OHIO AEROSPACE INSTITUTE (US) 2008-10-02 US disclosed
US-20080242870-A1 FLUORESCENT AROMATIC SENSORS AND THEIR METHODS OF USE OHIO AEROSPACE INSTITUTE (US) 2008-10-02 US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 US disclosed
US-6974855-B1 Polyimides by photochemical cyclopolymerization THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2005-12-13 US disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO disclosed
US-6593389-B1 Diels-Alder cyclopolymerization of a photochemically generated bisdiene with dienophiles, such as bismaleimides, trismaleimides and mixtures thereof with maleimide end-caps. Irradiation of one or more diketones produces two distinct THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION 2003-07-15 US disclosed
US-6534589-B1 Catalytic curing and polymerization of episulfide compound in presence of phenolic compound MITSUBISHI GAS CHEMICAL COMPANY INC. (JP) 2003-03-18 US disclosed
US-6486230-B1 Polyesters by photochemical cyclopolymerization THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION 2002-11-26 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-20080242870-A1 FLUORESCENT AROMATIC SENSORS AND THEIR METHODS OF USE AHR, PAH, ALK AKR1C3 2809/4885CYP2C8 982/4885CYP2C9 855/4885

“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.