SCHEMBL144246

SCHEMBL144246

O=[C]C(=O)c1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.61
NR4A2 P43354 1/20 0.61
NR4A3 Q92570 1/20 0.61
MMP3 P08254 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
PTPN1 P18031 1/20 0.53
CDC25B P30305 1/20 0.53
PLK1 P53350 1/20 0.53
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.49
HPGD P15428 4/20 0.49
HTT P42858 2/20 0.49
HSP90AA1 P07900 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
PTK2B Q14289 1/20 0.47
POLB P06746 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46

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
SCHEMBL8710400 0.89 NR4A1 (0.53) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL6267393 0.82 KDM4E (0.62) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL730486 0.82 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL9442057 0.82 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL9410290 0.80 NR4A1 (0.57) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL10672076 0.79 ALDH1A1 (0.48) NR4A1NR4A2NR4A3HDAC8ALDH1A1
SCHEMBL9614463 0.78 NR4A1 (0.65) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL244802 0.78 CDC25B (0.80) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL29494693 0.78 NR4A1 (0.71) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL7218991 0.78 NR4A1 (0.71) NR4A1NR4A2NR4A3MMP3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678311-A1 SULFONIUM SULFATES, THEIR PREPARATION AND USE BASF SE (DE) 2014-01-01 EP claimed
WO-2012113829-A1 SULFONIUM SULFATES, THEIR PREPARATION AND USE BASF SE (DE) 2012-08-30 WO claimed
US-7375081-B2 Therapeutic combination of a pneumocandin derivative and an antifungal agent ASTELLAS PHARMA INC. (JP) 2008-05-20 US claimed
US-6875740-B1 Combination of a cyclic hexapeptide with antifungal drugs for treatment of fungal pathogens FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-04-05 US claimed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP claimed
EP-0686156-B1 PYRAZOLITRIAZINES WITH INTERLEUKIN-1 AND TUMOUR NECROSIS FACTOR INHIBITORY ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-07-17 EP claimed
EP-0470578-B1 Novel tricyclic compound or salts thereof, method for producing the same and antimicrobial agent containing the same WAKUNAGA SEIYAKU KK (JP) 1996-11-06 EP claimed
EP-0462531-B1 Cyclic polypeptide with antibiotic activity, process for its preparation and pure culture of a Coelomycetes strain FUJISAWA PHARMACEUTICAL CO (JP) 1996-10-02 EP claimed
US-5399553-A Oral absorbability WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1995-03-21 US claimed
US-5322842-A Tricyclic benzodiazepine derivates, their preparation, and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-21 US claimed
US-5254685-A Tricyclic compound or salts thereof, method for producing the same and antimicrobial agent containing the same WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-10-19 US claimed
US-5217952-A Analgesics, antihistamine FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-08 US claimed
US-4118232-A Photographic material containing sulphonic acid group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1978-10-03 US claimed
US-20240084308-A1 FIBROTIC TREATMENT MONASH UNIVERSITY (AU) 2024-03-14 US disclosed
US-20240034845-A1 POLYMER PARTICLES QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2024-02-01 US disclosed
EP-3384549-B1 SODIUM-ION ELECTROLYTE COMPOSITION UNIV DEAKIN (AU) 2024-01-17 EP disclosed
EP-0017138-A2 Analogous compounds of cephalosporins, processes for their preparation, and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-10-15 EP disclosed
EP-0010313-A1 3,7-Disubstituted-2- or -3-cephem-4-carboxylic acid compounds, pharmaceutical compositions containing them and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-04-30 EP disclosed
US-4118232-A Photographic material containing sulphonic acid group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1978-10-03 US disclosed
US-4051123-A Sulfonic-acid-group containing disazo dyestuffs CIBA-GEIGY AG (CH) 1977-09-27 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-20240084308-A1 FIBROTIC TREATMENT MMP1, ENPEP, RNPEP NR4A1 4148/4885NR4A2 3058/4885NR4A3 2826/4885

“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.