SCHEMBL548046

SCHEMBL548046

O=CC(C=O)(C=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KCNN4 O15554 5/20 0.43
TSHR P16473 3/20 0.43
CYP2A6 P11509 1/20 0.43
CYP1A2 P05177 1/20 0.40
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
PTPN1 P18031 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL1933521 0.79 ALDH1A1 (0.41) ALDH1A1KCNN4TSHRCYP2A6CYP1A2
SCHEMBL867672 0.79 ALDH1A1 (0.41) ALDH1A1KCNN4TSHRCYP2A6CYP1A2
SCHEMBL1579975 0.78 ALDH1A1 (0.46) ALDH1A1TSHRCYP2A6CYP1A2LMNA
SCHEMBL28880786 0.77 ALDH1A1 (0.39) ALDH1A1KCNN4TSHRCYP2A6CYP1A2
SCHEMBL1414647 0.77 ESR1 (0.41) ALDH1A1KCNN4TSHRCYP2A6CYP1A2
SCHEMBL22376061 0.76 ALDH1A1 (0.41) ALDH1A1KCNN4TSHRESR1ESR2
SCHEMBL2007205 0.75 ALDH1A1 (0.50) ALDH1A1KCNN4TSHRCYP2A6CYP1A2
SCHEMBL6379504 0.75 KCNN4 (0.50) ALDH1A1KCNN4TSHRCYP2A6CYP1A2
SCHEMBL863162 0.75 KDM4E (0.44) ALDH1A1KCNN4TSHRCYP2A6CYP1A2
SCHEMBL2121346 0.75 ESR1 (0.44) ALDH1A1KCNN4TSHRESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2808736-B1 Compound for resist and radiation-sensitive composition MITSUBISHI GAS CHEMICAL CO (JP) 2018-07-18 EP claimed
EP-2808736-A2 Compound for resist and radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-12-03 EP claimed
EP-2662727-A2 Compound for resist and radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-11-13 EP claimed
EP-2080750-B1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2020-07-29 EP disclosed
EP-2808736-B1 Compound for resist and radiation-sensitive composition MITSUBISHI GAS CHEMICAL CO (JP) 2018-07-18 EP disclosed
US-9897913-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-02-20 US 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-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 ALDH1A1 4594/4885KCNN4 4720/4885TSHR 3414/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 ALDH1A1 1078/4885KCNN4 4841/4885TSHR 3709/4885
US-20110165516-A1 COMPOUND FOR RESIST AND RADIATION-SENSITIVE COMPOSITION XRCC6, XRCC5, KISS1R ALDH1A1 1170/4885KCNN4 2873/4885TSHR 3014/4885

“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.