SCHEMBL547663

SCHEMBL547663

Cc1cc(C(=O)O)c(C=O)c(C=O)c1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
CYP3A4 P08684 2/20 0.46
KDM4E B2RXH2 5/20 0.41
HPGD P15428 3/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 6/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
NOTUM Q6P988 1/20 0.39
HMGB1 P09429 1/20 0.36
CXCL12 P48061 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36

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
SCHEMBL547627 0.86 MAPT (0.44) MAPTCYP3A4KDM4EHPGDGAA
SCHEMBL30431114 0.82 MAPT (0.44) MAPTCYP3A4KDM4EHPGDGAA
SCHEMBL548167 0.79 ERN1 (0.42) MAPTCYP3A4KDM4EHPGDHSD17B10
SCHEMBL27814250 0.78 KDM4E (0.50) MAPTCYP3A4KDM4EALDH1A1LMNA
SCHEMBL547605 0.77 CYP3A4 (0.35) MAPTCYP3A4KDM4EALDH1A1TDP1
SCHEMBL31121587 0.76 MAPT (0.40) MAPTCYP3A4KDM4EHPGDGAA
SCHEMBL5552901 0.76 ALDH1A1 (0.45) MAPTCYP3A4KDM4EHPGDGAA
SCHEMBL1174688 0.74 TPMT (0.50) MAPTCYP3A4KDM4EHPGDHSD17B10
SCHEMBL18239280 0.72 KDM4E (0.42) MAPTCYP3A4KDM4EHPGDGAA
SCHEMBL235710 0.71 KDM4E (0.54) KDM4EHPGDGAAHSD17B10ALDH1A1

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 9 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 claimed
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
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-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

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 MAPT 1565/4885CYP3A4 2580/4885KDM4E 165/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 MAPT 1819/4885CYP3A4 3014/4885KDM4E 234/4885

“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.