SCHEMBL986761

SCHEMBL986761

O=C(O)c1cnc(-c2cccnc2-c2ccccn2)c(C(=O)O)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
TDP1 Q9NUW8 1/20 0.46
TGFBR1 P36897 5/20 0.43
TGFBR2 P37173 1/20 0.43
KDM6B O15054 1/20 0.40
KDM4A O75164 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
DHODH Q02127 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
AGER Q15109 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL29436013 0.90 KDM4E (0.45) KDM4ETDP1TGFBR1TGFBR2KDM6B
SCHEMBL29260719 0.82 KDM4E (0.61) KDM4ETDP1TGFBR1TGFBR2KDM6B
SCHEMBL1539362 0.82 KDM4E (0.44) KDM4ETDP1KDM6BKDM4AKDM5C
SCHEMBL5575174 0.81 KDM4E (0.46) KDM4ETDP1TGFBR1TGFBR2KDM6B
SCHEMBL7494200 0.81 KDM4E (0.50) KDM4ETDP1TGFBR1KDM6BKDM4A
SCHEMBL29693966 0.77 KDM4E (0.71) KDM4ETDP1KDM6BKDM4AKDM5C
SCHEMBL646624 0.77 KDM4E (0.71) KDM4ETDP1KDM6BKDM4AKDM5C
SCHEMBL87737 0.76 KDM4E (0.50) KDM4ETDP1KDM6BKDM4AKDM5C
SCHEMBL1539363 0.76 KDM4E (0.47) KDM4ETDP1TGFBR1TGFBR2KDM6B
SCHEMBL2384672 0.76 KDM4E (0.69) KDM4ETDP1KDM6BKDM4AKDM5C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110155238-A1 PYRIDINE TYPE METAL COMPLEX, PHOTOELECTRODE COMPRISING THE METAL COMPLEX, AND DYE-SENSITIZED SOLAR CELL COMPRISING THE PHOTOELECTRODE SHARP KABUSHIKI KAISHA (JP) 2011-06-30 US disclosed
EP-2275494-A1 PYRIDINE-TYPE METAL COMPLEX, PHOTOELECTRODE COMPRISING THE METAL COMPLEX, AND DYE-SENSITIZED SOLAR CELL COMPRISING THE PHOTOELECTRODE Sharp Kabushiki Kaisha (JP) 2011-01-19 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 (1 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-20110155238-A1 PYRIDINE TYPE METAL COMPLEX, PHOTOELECTRODE COMPRISING THE METAL COMPLEX, AND DYE-SENSITIZED SOLAR CELL COMPRISING THE PHOTOELECTRODE CD4, AP1M1, CRY1 KDM4E 481/4885TDP1 4692/4885TGFBR1 4474/4885

“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.