SCHEMBL22038957

SCHEMBL22038957

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)cc(-c4cccnc4)n3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.47
▸ PDK2 Q15119 3/20 0.45
▸ ALDH1A1 P00352 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ DHODH Q02127 1/20 0.41
▸ TDP2 O95551 2/20 0.40
▸ NTSR1 P30989 1/20 0.39
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ CYP17A1 P05093 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ GLA P06280 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37

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
SCHEMBL22038945 0.98 PDK2 (0.47) CYP19A1PDK2ALDH1A1MEN1KMT2A
SCHEMBL22037921 0.98 PDK2 (0.47) CYP19A1PDK2ALDH1A1MEN1KMT2A
SCHEMBL22038941 0.98 PDK2 (0.47) CYP19A1PDK2ALDH1A1MEN1KMT2A
SCHEMBL31355555 0.97 CYP19A1 (0.48) CYP19A1PDK2ALDH1A1MEN1KMT2A
SCHEMBL22227770 0.97 CYP19A1 (0.48) CYP19A1PDK2ALDH1A1MEN1KMT2A
SCHEMBL22037460 0.96 CYP19A1 (0.45) CYP19A1PDK2ALDH1A1MEN1KMT2A
SCHEMBL22037990 0.96 PDK2 (0.46) CYP19A1PDK2ALDH1A1MEN1KMT2A
SCHEMBL22037961 0.96 CYP19A1 (0.45) CYP19A1PDK2ALDH1A1MEN1KMT2A
SCHEMBL22037419 0.95 PDK2 (0.45) CYP19A1PDK2ALDH1A1MEN1KMT2A
SCHEMBL22037405 0.95 PDK2 (0.45) CYP19A1PDK2ALDH1A1MEN1KMT2A

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-20200168805-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOOSAN CORPORATION (KR) 2020-05-28 — — 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-20200168805-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ELOVL1, ELOVL6, ELOVL5 CYP19A1 1838/4885PDK2 2857/4885ALDH1A1 781/4885

“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.

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