SCHEMBL13251044

SCHEMBL13251044

CCOc1ccc(-c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(-c5ccc(OCC)cc5)cc(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc2c3c45)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 2/20 0.50
▸ CHRNA3 P32297 2/20 0.50
▸ CHRNA7 P36544 2/20 0.50
▸ CDC25A P30304 1/20 0.50
▸ CDC25B P30305 1/20 0.50
▸ CDC25C P30307 1/20 0.50
▸ DUSP3 P51452 1/20 0.50
▸ CHRNB2 P17787 1/20 0.50
▸ CHRNA4 P43681 1/20 0.50
▸ CYP11B1 P15538 2/20 0.45
▸ CYP11B2 P19099 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP19A1 P11511 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NQO1 P15559 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
SCHEMBL13251177 1.00 CHRNB4 (0.50) CHRNB4CHRNA3CHRNA7CDC25ACDC25B
SCHEMBL13251173 0.84 CYP1A2 (0.50) CYP11B1CYP11B2KDM4ENPC1ESR1
SCHEMBL13251040 0.84 CYP1A2 (0.50) CYP11B1CYP11B2KDM4ENPC1ESR1
SCHEMBL19910969 0.82 CHRNB2 (0.51) CHRNB4CHRNA3CHRNA7CDC25ACDC25B
SCHEMBL19910978 0.82 CHRNB2 (0.51) CHRNB4CHRNA3CHRNA7CDC25ACDC25B
SCHEMBL19910986 0.80 CYP11B1 (0.64) CHRNB4CHRNA3CHRNA7CDC25ACDC25B
SCHEMBL19910992 0.78 CYP11B1 (0.62) CHRNB4CHRNA3CHRNA7CDC25ACDC25B
SCHEMBL5811792 0.78 GSTP1 (0.57) CYP11B1CYP11B2CYP19A1KDM4EESR1
SCHEMBL13251039 0.77 CYP1A2 (0.47) CYP11B1CYP11B2CYP19A1ESR1ESR2
SCHEMBL13251171 0.77 CYP1A2 (0.47) CYP11B1CYP11B2CYP19A1ESR1ESR2

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-8940409-B2 Organic light emitting material and organic light emitting device using the same LG DISPLAY CO., LTD. (KR) 2015-01-27 — — US disclosed
US-8940409-B2 Organic light emitting material and organic light emitting device using the same LG DISPLAY CO., LTD. (KR) 2015-01-27 — — US disclosed
US-20100164374-A1 Organic light emitting material and organic light emitting device using the same LG DISPLAY CO., LTD. (KR) 2010-07-01 — — US disclosed
US-20100164374-A1 Organic light emitting material and organic light emitting device using the same LG DISPLAY CO., LTD. (KR) 2010-07-01 — — 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-20100164374-A1 Organic light emitting material and organic light emitting device using the same CRY1, L3MBTL4, TMSB4X CHRNB4 782/4885CHRNA3 1033/4885CHRNA7 2492/4885

“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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