SCHEMBL547832

SCHEMBL547832

O=Cc1c(C(=O)O)c2ccc3cccc4c(C=O)c(C=O)c(c1C=O)c2c34

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
MEN1 O00255 4/20 0.38
CYP1A2 P05177 4/20 0.38
HSD17B10 Q99714 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GLA P06280 2/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
THRB P10828 1/20 0.35
MAPT P10636 2/20 0.35
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
CDC25B P30305 1/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34

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
SCHEMBL547833 0.96 ERN1 (0.37) ERN1KMT2AALDH1A1HPGDMEN1
SCHEMBL547987 0.89 KMT2A (0.43) ERN1KMT2AALDH1A1HPGDMEN1
SCHEMBL547733 0.82 ERN1 (0.47) ERN1KMT2AALDH1A1HPGDMEN1
SCHEMBL548658 0.82 KMT2A (0.44) ERN1KMT2AALDH1A1HPGDMEN1
SCHEMBL548664 0.81 ERN1 (0.36) ERN1KMT2AALDH1A1HPGDMEN1
SCHEMBL7101315 0.79 ALDH1A1 (0.52) KMT2AALDH1A1HPGDMEN1CYP1A2
SCHEMBL547734 0.79 ERN1 (0.47) ERN1KMT2AALDH1A1HPGDMEN1
SCHEMBL28219485 0.79 ALDH1A1 (0.54) ERN1KMT2AALDH1A1HPGDMEN1
SCHEMBL548665 0.76 HSD17B10 (0.50) ERN1KMT2AALDH1A1HPGDMEN1
SCHEMBL30872060 0.75 CYP1A2 (0.38) ERN1KMT2AALDH1A1HPGDMEN1

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 ERN1 2991/4885KMT2A 1479/4885ALDH1A1 4594/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 ERN1 3467/4885KMT2A 645/4885ALDH1A1 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.