SCHEMBL15318702

SCHEMBL15318702

c1ccc(-c2cccc3ccc4cc(-c5c6ccccc6c(-c6ccc(N(c7ccc8ccccc8c7)c7ccc8ccccc8c7)cc6)c6ccccc56)cc(-c5ccccc5)c4c23)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.33
▸ ESR2 Q92731 3/20 0.33
▸ HSD17B1 P14061 3/20 0.33
▸ HSD17B2 P37059 3/20 0.33
▸ GPR84 Q9NQS5 2/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ CDK4 P11802 2/20 0.32
▸ CCND1 P24385 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GSTP1 P09211 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ ERBB2 P04626 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ ACHE P22303 1/20 0.31

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
SCHEMBL24655551 0.84 CA12 (0.37) CDK4CCND1KDM4EMEN1KMT2A
SCHEMBL15887975 0.83 ESR1 (0.45) ESR1ESR2HSD17B1HSD17B2GPR84
SCHEMBL24901162 0.82 HSD17B1 (0.42) ESR1ESR2HSD17B1HSD17B2HDAC4
SCHEMBL24901166 0.82 HSD17B1 (0.42) ESR1ESR2HSD17B1HSD17B2HDAC4
SCHEMBL24901254 0.82 HSD17B1 (0.42) ESR1ESR2HSD17B1HSD17B2HDAC4
SCHEMBL25972645 0.82 ALDH1A1 (0.43) ESR1ESR2HSD17B1HSD17B2HDAC4
SCHEMBL10063955 0.82 ESR1 (0.44) ESR1ESR2HSD17B1HSD17B2GPR84
SCHEMBL10063979 0.82 ESR1 (0.44) ESR1ESR2HSD17B1HSD17B2GPR84
SCHEMBL10063935 0.82 ESR1 (0.44) ESR1ESR2HSD17B1HSD17B2GPR84
SCHEMBL13510697 0.81 ALDH1A1 (0.38) ESR1ESR2GPR84HDAC4HDAC2

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-9567287-B2 Compound for organic light-emitting diode and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-14 — — US disclosed
US-20130270524-A1 COMPOUND FOR ORGANIC LIGHT-EMITTING DIODE AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO. LTD. (KR) 2013-10-17 — — 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-20130270524-A1 COMPOUND FOR ORGANIC LIGHT-EMITTING DIODE AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME AOX1, ALDH1A2, CRY1 ESR1 108/4885ESR2 155/4885HSD17B1 343/4885

“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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