SCHEMBL547728

SCHEMBL547728

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
VDR P11473 1/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
CASP1 P29466 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
IGF1R P08069 1/20 0.32
SRC P12931 1/20 0.32
AXL P30530 1/20 0.32
PTK2 Q05397 1/20 0.32
AURKB Q96GD4 1/20 0.32
ALK Q9UM73 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
ALOX12 P18054 1/20 0.32
GPR35 Q9HC97 1/20 0.31
LDHA P00338 1/20 0.31

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
SCHEMBL607624 0.77 IGF1R (0.33) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL16349997 0.75 CYP3A4 (0.43) CYP3A4MAPTVDRALDH1A1SMN1; SMN2
SCHEMBL605256 0.74 L3MBTL1 (0.35) MAPTKDM4EMEN1KMT2AIGF1R
SCHEMBL842692 0.71 NOTUM (0.42) CYP3A4ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL599509 0.71 L3MBTL1 (0.36) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL12244029 0.70 CYP3A4 (0.34) CYP3A4MAPTLDHALDHB
SCHEMBL28687904 0.70 CYP3A4 (0.55) CYP3A4MAPTVDRALDH1A1KDM4E
SCHEMBL1498069 0.68 NOTUM (0.40) CYP3A4ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL1236815 0.68 LDHA (0.44) CYP3A4ALDH1A1SMN1; SMN2POLBLDHA
SCHEMBL15957650 0.68 NOTUM (0.40) CYP3A4ALDH1A1KDM4EKMT2ASMN1; SMN2

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 CYP3A4 2580/4885MAPT 1565/4885VDR 931/4885
US-20100047709-A1 RADIATION-SENSITIVE COMPOSITION C1S, C9, RAD51 CYP3A4 3014/4885MAPT 1819/4885VDR 1605/4885

“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.