SCHEMBL548271

SCHEMBL548271

O=CC1=C(C=O)c2c(C=O)ccc3cccc1c23

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.37
ALDH1A1 P00352 5/20 0.36
CES1 P23141 2/20 0.36
CES2 O00748 1/20 0.36
BCHE P06276 1/20 0.36
MCL1 Q07820 1/20 0.36
HSD17B10 Q99714 4/20 0.34
TSHR P16473 3/20 0.34
HPGD P15428 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1B1 Q16678 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TYMS P04818 4/20 0.34
CYP2A6 P11509 1/20 0.33
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32

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
SCHEMBL546727 0.81 HSD17B10 (0.40) PARP1ALDH1A1CES1CES2BCHE
SCHEMBL547828 0.80 ALDH1A1 (0.54) PARP1ALDH1A1CES1CES2BCHE
SCHEMBL28471709 0.80 ALDH1A1 (0.50) PARP1ALDH1A1CES1CES2BCHE
SCHEMBL547769 0.78 CES1 (0.35) PARP1CES1CYP2A6MEN1KMT2A
SCHEMBL546728 0.77 HSD17B10 (0.50) ALDH1A1HSD17B10TSHRHPGDCYP1A2
SCHEMBL9264368 0.75 TYMS (0.47) PARP1ALDH1A1CES1CES2BCHE
SCHEMBL9390822 0.73 HSD17B10 (0.42) ALDH1A1CES1CES2BCHEMCL1
SCHEMBL10490132 0.72 ALDH1A1 (0.48) PARP1ALDH1A1CES1CES2BCHE
SCHEMBL547600 0.70 CYP2A6 (0.31) CYP2A6
SCHEMBL4944634 0.69 THRB (0.52) ALDH1A1CES1CES2BCHEMCL1

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 18 patents. 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
US-9897913-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-02-20 US 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
EP-2808736-A2 Compound for resist and radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-12-03 EP disclosed
US-8846292-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-09-30 US disclosed
US-8802353-B2 Compound for resist and radiation-sensitive composition specification MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-08-12 US disclosed
EP-2662727-A2 Compound for resist and radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-11-13 EP disclosed
US-8350096-B2 Compound for resist and radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-01-08 US disclosed
US-20130004896-A1 COMPOUND FOR RESIST AND RADIATION-SENSITIVE COMPOSITION SPECIFICATION ECHIGO MASATOSHI (JP) 2013-01-03 US disclosed
US-20120171379-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-07-05 US disclosed
US-8110334-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-02-07 US disclosed
US-20110165516-A1 COMPOUND FOR RESIST AND RADIATION-SENSITIVE COMPOSITION ECHIGO MASATOSHI 2011-07-07 US 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-20100047709-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-02-25 US disclosed
EP-2080750-A1 RADIATION-SENSITIVE COMPOSITION Mitsubishi Gas Chemical Company, Inc. (JP) 2009-07-22 EP disclosed
US-20080113294-A1 Compound for Resist and Radiation-Sensitive Composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-05-15 US disclosed
EP-1830228-A1 COMPOUND FOR RESIST AND RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-09-05 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 (3 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-20120171379-A1 RADIATION-SENSITIVE COMPOSITION PARG, RAD51, SRMS PARP1 225/4885ALDH1A1 4594/4885CES1 4215/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 PARP1 155/4885ALDH1A1 1078/4885CES1 3307/4885
US-20110165516-A1 COMPOUND FOR RESIST AND RADIATION-SENSITIVE COMPOSITION XRCC6, XRCC5, KISS1R PARP1 220/4885ALDH1A1 1170/4885CES1 4143/4885

“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.