SCHEMBL15730488

SCHEMBL15730488

Cc1cc(CO)cc(CO)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 2/20 0.41
CASP6 P55212 1/20 0.41
ACHE P22303 1/20 0.41
MAPT P10636 2/20 0.41
HMGB1 P09429 1/20 0.38
CXCL12 P48061 1/20 0.38
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
LDHA P00338 2/20 0.35
LDHB P07195 2/20 0.35
TPMT P51580 1/20 0.34
NOTUM Q6P988 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PKM P14618 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
SCHEMBL15957662 0.88 CYP3A4 (0.47) SHBGKDM4EL3MBTL1ALDH1A1MAPK1
SCHEMBL27646009 0.82 KDM4E (0.62) KDM4EL3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL8735157 0.78 L3MBTL1 (0.45) KDM4EL3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL16418738 0.75 CYP4F2 (0.39) SHBGKDM4ESMN1; SMN2CYP3A4ACHE
SCHEMBL15957652 0.73 SHBG (0.52) SHBGKDM4ECASP6ACHEMAPT
SCHEMBL5581994 0.73 HMGB1 (0.59) SHBGKDM4EL3MBTL1ALDH1A1MAPK1
SCHEMBL17586552 0.72 PTGS1 (0.44) KDM4EL3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL10456973 0.71 CYP3A4 (0.47) KDM4EL3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL283462 0.71 SHBG (0.80) SHBGKDM4EALDH1A1CASP6ACHE
SCHEMBL623350 0.71 L3MBTL1 (0.49) KDM4EL3MBTL1ALDH1A1CYP3A4TDP1

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-9765039-B2 Biaryl derivatives as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-09-19 US disclosed
US-20140140956-A1 BIARYL DERIVATIVES AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2014-05-22 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-20140140956-A1 BIARYL DERIVATIVES AS BROMODOMAIN INHIBITORS BRDT, BRD3, BRD4 SHBG 4116/4885KDM4E 615/4885L3MBTL1 722/4885

“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.