SCHEMBL547679

SCHEMBL547679

O=Cc1c(C=O)c(C(=O)O)c2c3ccccc3c3ccccc3c2c1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.44
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 2/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ERN1 O75460 3/20 0.37
TDP1 Q9NUW8 1/20 0.35
PARP1 P09874 1/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.34
MAPT P10636 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
SCHEMBL547751 0.78 KMT2A (0.41) PADI4KMT2AMEN1ALDH1A1KDM4E
SCHEMBL547733 0.77 ERN1 (0.47) PADI4KMT2AMEN1ALDH1A1KDM4E
SCHEMBL547734 0.77 ERN1 (0.47) PADI4KMT2AMEN1ALDH1A1KDM4E
SCHEMBL17081341 0.75 KMT2A (0.52) PADI4KMT2AMEN1ALDH1A1KDM4E
SCHEMBL547752 0.74 GPR35 (0.44) PADI4KMT2AMEN1ALDH1A1KDM4E
SCHEMBL547529 0.73 CYP1A2 (0.56) PADI4KMT2AMEN1ALDH1A1KDM4E
SCHEMBL7539071 0.73 KMT2A (0.45) PADI4KMT2AMEN1ALDH1A1KDM4E
SCHEMBL547981 0.71 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1KDM4ECYP1A2
SCHEMBL548032 0.70 FABP4 (0.41) ALDH1A1KDM4EHPGDLMNACYP3A4
SCHEMBL547550 0.70 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1KDM4ECYP1A2

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 PADI4 2331/4885KMT2A 1479/4885MEN1 1441/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 PADI4 1478/4885KMT2A 645/4885MEN1 1910/4885

“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.