SCHEMBL26164176

SCHEMBL26164176

O=[N+]([O-])c1cccc2c1[nH]c1c(-c3ccccc3)cccc1c1c(O)cccc1c1ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.52
CCND1 P24385 4/20 0.52
PARP1 P09874 1/20 0.51
FBP1 P09467 8/20 0.50
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
CXCR2 P25025 1/20 0.40
FEN1 P39748 1/20 0.40
CRHBP P24387 1/20 0.40

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
SCHEMBL26164178 0.90 PARP1 (0.56) CDK4CCND1PARP1FBP1ALDH1A1
SCHEMBL26164146 0.89 PARP1 (0.63) PARP1FBP1ALDH1A1TDP1NPC1
SCHEMBL26164175 0.87 PARP1 (0.52) CDK4CCND1PARP1FBP1ALDH1A1
SCHEMBL26167531 0.83 PARP1 (0.48) CDK4CCND1PARP1FBP1ALDH1A1
SCHEMBL26164184 0.82 PARP1 (0.58) PARP1FBP1ALDH1A1TDP1NPC1
SCHEMBL26164170 0.81 PARP1 (0.57) PARP1FBP1ALDH1A1TDP1NPC1
SCHEMBL26167533 0.80 PARP1 (0.43) CDK4CCND1PARP1FBP1ALDH1A1
SCHEMBL26164171 0.79 PARP1 (0.55) CDK4CCND1PARP1FBP1ALDH1A1
SCHEMBL21709358 0.74 CDK4 (0.56) CDK4CCND1PARP1ALDH1A1MAPK1
SCHEMBL27780959 0.72 CDK4 (0.76) CDK4CCND1ALDH1A1CCNB2CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167145-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-06-01 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-20230167145-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, OSBP CDK4 3885/4885CCND1 1655/4885PARP1 2010/4885

“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.