SCHEMBL548658

SCHEMBL548658

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
ERN1 O75460 7/20 0.37
ALDH1A1 P00352 4/20 0.35
CYP1A2 P05177 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
GLA P06280 2/20 0.35
CYP2C19 P33261 1/20 0.35
ERBB2 P04626 1/20 0.34
FYN P06241 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
AHR P35869 1/20 0.34
POLB P06746 2/20 0.34
PTPN1 P18031 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 2/20 0.33
METAP2 P50579 1/20 0.32

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
SCHEMBL22020163 0.84 KMT2A (0.50) KMT2AMEN1ERN1ALDH1A1CYP1A2
SCHEMBL548664 0.83 ERN1 (0.36) KMT2AMEN1ERN1ALDH1A1CYP1A2
SCHEMBL29616396 0.83 CYP1A2 (0.40) KMT2AMEN1ERN1ALDH1A1CYP1A2
SCHEMBL548502 0.83 CYP1A2 (0.40) KMT2AMEN1ERN1ALDH1A1CYP1A2
SCHEMBL547987 0.83 KMT2A (0.43) KMT2AMEN1ERN1ALDH1A1CYP1A2
SCHEMBL547832 0.82 ERN1 (0.38) KMT2AMEN1ERN1ALDH1A1CYP1A2
SCHEMBL547833 0.78 ERN1 (0.37) KMT2AMEN1ERN1ALDH1A1CYP1A2
SCHEMBL978669 0.77 CYP1A2 (0.49) KMT2AMEN1ERN1ALDH1A1CYP1A2
SCHEMBL547733 0.76 ERN1 (0.47) KMT2AMEN1ERN1ALDH1A1CYP1A2
SCHEMBL548659 0.75 KMT2A (0.46) KMT2AMEN1ERN1ALDH1A1CYP1A2

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 1441/4885ERN1 2991/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 KMT2A 645/4885MEN1 1910/4885ERN1 3467/4885

“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.