SCHEMBL547828

SCHEMBL547828

O=CC1=C(C=O)c2cccc3cccc1c23

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
CES2 O00748 1/20 0.54
BCHE P06276 1/20 0.54
CES1 P23141 1/20 0.54
MCL1 Q07820 1/20 0.54
PARP1 P09874 2/20 0.54
HSD17B10 Q99714 6/20 0.52
TSHR P16473 3/20 0.52
MAPK1 P28482 2/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TYMS P04818 4/20 0.50
PABPC1 P11940 3/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
CYP3A4 P08684 2/20 0.46
DNMT1 P26358 2/20 0.46
HPGD P15428 4/20 0.46
TP53 P04637 1/20 0.46
HIF1A Q16665 1/20 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
SCHEMBL21831060 0.85 PARP1 (0.45) ALDH1A1CES2BCHECES1MCL1
SCHEMBL548271 0.80 PARP1 (0.37) ALDH1A1CES2BCHECES1MCL1
SCHEMBL12486117 0.80 HSD17B10 (0.47) ALDH1A1CES2BCHECES1MCL1
SCHEMBL2370892 0.73 DRD1 (0.50) ALDH1A1CES2BCHECES1MCL1
SCHEMBL547769 0.72 CES1 (0.35) CES1PARP1MEN1KMT2A
SCHEMBL547599 0.72 PARP1 (0.38) ALDH1A1CES2BCHECES1MCL1
Ammonia Solution, Strong SCHEMBL27626211 0.72 ALDH1A1 (0.81) ALDH1A1CES2BCHECES1MCL1
SCHEMBL10490132 0.72 ALDH1A1 (0.48) ALDH1A1CES2BCHECES1MCL1
SCHEMBL18803237 0.70 ALDH1A1 (0.89) ALDH1A1CES2BCHECES1MCL1
Acenaphthoquinone SCHEMBL2156555 0.70 ALDH1A1 (1.00) ALDH1A1CES2BCHECES1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2080750-B1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2020-07-29 EP disclosed
CN-104281006-B Radiation-ray sensitive composition 三菱瓦斯化学株式会社 2019-01-22 CN disclosed
CN-108008600-A Radiation-ray sensitive composition 三菱瓦斯化学株式会社 2018-05-08 CN disclosed
US-9897913-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-02-20 US disclosed
EP-1739485-B1 RESIST COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2016-08-31 EP disclosed
CN-103102251-B Radiation-ray sensitive composition MITSUBISHI GAS CHEMICAL INC. (JP) 2016-01-20 CN disclosed
EP-1830228-B1 COMPOUND FOR RESIST AND RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2015-08-05 EP disclosed
US-20150030980-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2015-01-29 US disclosed
CN-104281006-A Radiation-sensitive composition MITSUBISHI GAS CHEMICAL CO 2015-01-14 CN disclosed
EP-2808736-A2 Compound for resist and radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-12-03 EP disclosed
US-7919223-B2 Polyphenol compound synthesized by condensation between aromatic ketone or aldehyde and a phenol; acid-amplified, non-polymeric resist; highly sensitive to KrF excimer lasers, extreme ultraviolet rays, electron beams, X-rays; resist patterns with high resolution, high heat, etch resistance MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-04-05 US disclosed
US-7871751-B2 Resist composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-01-18 US disclosed
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-02-25 US disclosed
CN-101528653-A Radiation-sensitive composition MITSUBISHI GAS CHEMICAL CO (JP) 2009-09-09 CN disclosed
EP-2080750-A1 RADIATION-SENSITIVE COMPOSITION Mitsubishi Gas Chemical Company, Inc. (JP) 2009-07-22 EP disclosed
US-20080153031-A1 Resist composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-06-26 US disclosed
US-20080113294-A1 Compound for Resist and Radiation-Sensitive Composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-05-15 US disclosed
CN-101088046-A Compound for resist and radiation-sensitive composition MITSUBISHI GAS CHEMICAL CO (JP) 2007-12-12 CN disclosed
EP-1830228-A1 COMPOUND FOR RESIST AND RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-09-05 EP disclosed
EP-1739485-A1 RESIST COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-01-03 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 (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-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 ALDH1A1 1078/4885CES2 1712/4885BCHE 4597/4885

“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.