SCHEMBL2888296

SCHEMBL2888296

Cc1ccc(C=O)c(C=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.52
SRC P12931 2/20 0.52
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
CYP2A6 P11509 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.42
PIM3 Q86V86 1/20 0.40
NQO2 P16083 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL11858171 0.86 SRC (0.46) ERN1SRCALDH1A1KDM4EGAA
SCHEMBL14037448 0.84 SRC (0.44) ERN1SRCALDH1A1KDM4EGAA
SCHEMBL29956882 0.83 TDP1 (0.52) ERN1SRCALDH1A1KDM4EGAA
SCHEMBL3384426 0.83 TDP1 (0.52) ERN1SRCALDH1A1KDM4EGAA
SCHEMBL29080238 0.82 SRC (0.47) ERN1SRCALDH1A1KDM4EGAA
SCHEMBL95501 0.82 ALDH1A1 (0.52) ERN1SRCALDH1A1KDM4EGAA
SCHEMBL29437223 0.82 ALDH1A1 (0.52) ERN1SRCALDH1A1KDM4EGAA
SCHEMBL268706 0.82 ALDH1A1 (0.52) ERN1SRCALDH1A1KDM4EGAA
SCHEMBL28898316 0.81 SRC (0.42) ERN1SRCALDH1A1KDM4EGAA
P-Xylene SCHEMBL7770805 0.80 ALDH1A1 (0.50) ERN1SRCALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116940559-A Cyclic diol compound, process for producing the compound, and use of the compound 新日本理化株式会社 2023-10-24 CN disclosed
CN-116829618-A Thermoplastic resin and optical lens comprising the same 三菱瓦斯化学株式会社 2023-09-29 CN disclosed
WO-2022011205-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-01-13 WO disclosed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-20110063485-A1 PHOTOELECTRIC CONVERSION DEVICE, PRODUCTION METHOD THEREOF, PHOTOSENSOR, IMAGING DEVICE AND THEIR DRIVE METHODS FUJIFILM CORPORATION (JP) 2011-03-17 US disclosed
US-20110056562-A1 PHOTOELECTRIC CONVERSION MATERIAL, FILM CONTAINING THE MATERIAL, PHOTOELECTRIC CONVERSION DEVICE, PRODUCTION METHOD THEREOF, PHOTOSENSOR, IMAGING DEVICE AND THEIR USE METHODS FUJIFILM CORPORATION (JP) 2011-03-10 US disclosed
WO-2011013308-A1 AQUEOUS INK CANON KABUSHIKI KAISHA (JP) 2011-02-03 WO disclosed
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-7390837-B2 Germicidal compositions containing phenylmalonaldehyde-type compounds, or mixtures of phenylmalonaldehyde-type compounds and phthalaldehydes, and methods of using such compositions for disinfection or sterilization ETHICON, INC. (US) 2008-06-24 US disclosed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US disclosed
US-7301018-B2 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2007-11-27 US disclosed
US-7301018-B2 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2007-11-27 US disclosed
US-7291649-B2 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. (US) 2007-11-06 US disclosed
US-20070004808-A1 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. 2007-01-04 US disclosed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO 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 (7 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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 ERN1 3582/4885SRC 1872/4885ALDH1A1 867/4885
US-20070004808-A1 Forming germicidal aromatic dialdehydes with acetals ALPG, DDT, ACR ERN1 2735/4885SRC 4266/4885ALDH1A1 86/4885
US-20110056562-A1 PHOTOELECTRIC CONVERSION MATERIAL, FILM CONTAINING THE MATERIAL, PHOTOELECTRIC CONVERSION DEVICE, PRODUCTION METHOD THEREOF, PHOTOSENSOR, IMAGING DEVICE AND THEIR USE METHODS H1-0, CRY1, PYM1 ERN1 2902/4885SRC 3816/4885ALDH1A1 1266/4885
US-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 ERN1 2819/4885SRC 3873/4885ALDH1A1 698/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 ERN1 768/4885SRC 2710/4885ALDH1A1 1480/4885
US-20110063485-A1 PHOTOELECTRIC CONVERSION DEVICE, PRODUCTION METHOD THEREOF, PHOTOSENSOR, IMAGING DEVICE AND THEIR DRIVE METHODS PPOX, CRY1, FTO ERN1 3280/4885SRC 3256/4885ALDH1A1 1665/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 ERN1 3428/4885SRC 2415/4885ALDH1A1 875/4885

“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.