SCHEMBL548711

SCHEMBL548711

O=Cc1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.50
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP2A6 P11509 7/20 0.46
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HBB P68871 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTGS1 P23219 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
PTGS2 P35354 1/20 0.43
KIF11 P52732 2/20 0.42

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
SCHEMBL641430 1.00 RELA (0.50) RELARAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL29875246 1.00 RELA (0.50) RELARAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL27834609 1.00 RELA (0.50) RELARAB9AALDH1A1KDM4EL3MBTL1
2-Naphthaldehyde SCHEMBL28110154 0.93 RELA (0.58) RELARAB9AALDH1A1KDM4EL3MBTL1
2-Naphthaldehyde SCHEMBL30229844 0.93 RELA (0.58) RELARAB9AALDH1A1KDM4EL3MBTL1
2-Naphthaldehyde SCHEMBL27347080 0.93 RELA (0.58) RELARAB9AALDH1A1KDM4EL3MBTL1
2-Naphthaldehyde SCHEMBL51340 0.93 RELA (0.58) RELARAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL19182196 0.93 CYP2A6 (0.50) RELARAB9AALDH1A1KDM4ECYP2A6
SCHEMBL9883838 0.93 CYP2A6 (0.50) RELARAB9AALDH1A1KDM4ECYP2A6
SCHEMBL29617404 0.93 CYP2A6 (0.50) RELARAB9AALDH1A1KDM4ECYP2A6

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 14 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-1739485-B1 RESIST COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2016-08-31 EP disclosed
US-20150030980-A1 RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2015-01-29 US disclosed
US-8846292-B2 Radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-09-30 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-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
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-20070059632-A1 Method of manufacturing a semiconductor device MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2007-03-15 US disclosed
EP-1739485-A1 RESIST COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-01-03 EP disclosed
EP-1666970-A1 COMPOUND FOR RESIST AND RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-06-07 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 (2 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 RELA 1835/4885RAB9A 1748/4885ALDH1A1 4594/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 RELA 1182/4885RAB9A 2924/4885ALDH1A1 1078/4885

“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.