SCHEMBL9907413

SCHEMBL9907413

COC(=O)c1cc(C)c2nccc(O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.45
LMNA P02545 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
XDH P47989 2/20 0.45
GAA P10253 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
POLB P06746 1/20 0.45
NFKB1 P19838 1/20 0.45
GFER P55789 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
FUT7 Q11130 1/20 0.45
KDM6B O15054 1/20 0.43
KDM5C P41229 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
KDM3A Q9Y4C1 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42

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
SCHEMBL9907416 0.88 KDM4E (0.45) KDM4ELMNAL3MBTL1XDHGAA
SCHEMBL31510024 0.84 KDM4E (0.42) KDM4ELMNAL3MBTL1GAAKDM6B
SCHEMBL27185476 0.84 KDM4E (0.42) KDM4ELMNAL3MBTL1GAAKDM6B
SCHEMBL9907415 0.84 KDM4E (0.46) KDM4ELMNAL3MBTL1XDHGAA
SCHEMBL9907440 0.84 KDM4E (0.47) KDM4ELMNAL3MBTL1XDHGAA
SCHEMBL9104437 0.83 KDM4E (0.41) KDM4ELMNAL3MBTL1TDP1FUT7
SCHEMBL9907446 0.81 NOTUM (0.45) KDM4ELMNAL3MBTL1XDHGAA
SCHEMBL9907463 0.77 NR1H2 (0.44) KDM4EPOLBKDM6BKDM5CKDM4C
SCHEMBL9907417 0.77 PTGDR2 (0.42) KDM4EL3MBTL1KDM6BKDM5CKDM4C
SCHEMBL9907468 0.77 PTGDR2 (0.39) KDM4ELMNAL3MBTL1XDHGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E KDM4E 1474/4885LMNA 4287/4885L3MBTL1 3654/4885

“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.