SCHEMBL548659

SCHEMBL548659

O=Cc1c(C=O)c2ccc3cccc4cc(C(=O)O)c(c1C=O)c2c34

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
HSD17B10 Q99714 4/20 0.39
GRIN2D O15399 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
PTPN1 P18031 1/20 0.39
ERN1 O75460 3/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
TSHR P16473 1/20 0.37
NR4A1 P22736 1/20 0.37
NR4A2 P43354 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
SCHEMBL548665 0.84 HSD17B10 (0.50) KMT2AMEN1HSD17B10PTPN1ERN1
SCHEMBL548502 0.79 CYP1A2 (0.40) KMT2AMEN1HSD17B10PTPN1ERN1
SCHEMBL29616396 0.79 CYP1A2 (0.40) KMT2AMEN1HSD17B10PTPN1ERN1
SCHEMBL548054 0.78 ALDH1A1 (0.48) KMT2AMEN1HSD17B10ERN1ALDH1A1
SCHEMBL547833 0.77 ERN1 (0.37) KMT2AMEN1HSD17B10ERN1ALDH1A1
SCHEMBL547987 0.76 KMT2A (0.43) KMT2AMEN1HSD17B10ERN1ALDH1A1
SCHEMBL547832 0.75 ERN1 (0.38) KMT2AMEN1HSD17B10ERN1ALDH1A1
SCHEMBL548658 0.75 KMT2A (0.44) KMT2AMEN1HSD17B10PTPN1ERN1
SCHEMBL275150 0.75 KMT2A (0.50) KMT2AMEN1HSD17B10GRIN2DGRIN2A
SCHEMBL30020926 0.75 KMT2A (0.50) KMT2AMEN1HSD17B10GRIN2DGRIN2A

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 KMT2A 1479/4885MEN1 1441/4885HSD17B10 4211/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 KMT2A 645/4885MEN1 1910/4885HSD17B10 3495/4885

“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.