SCHEMBL15316847

SCHEMBL15316847

c1ccc(-c2ccc(N(c3ccccc3)c3cc4c5c(ccc6cc(-c7ccc8ccccc8c7)cc(c65)C4(c4ccccc4)c4ccccc4)c3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.35
▸ ESR2 Q92731 3/20 0.35
▸ LPL P06858 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.34
▸ CHRNB2 P17787 2/20 0.34
▸ CHRNB4 P30926 2/20 0.34
▸ CHRNA3 P32297 2/20 0.34
▸ CHRNA4 P43681 2/20 0.34
▸ CHRNA1 P02708 1/20 0.34
▸ CHRNG P07510 1/20 0.34
▸ CHRNB1 P11230 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ CHRND Q07001 1/20 0.34
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ CYP17A1 P05093 1/20 0.32

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
SCHEMBL12387541 0.96 ESR1 (0.37) ESR1ESR2LPLLIPGCHRNB2
SCHEMBL12387537 0.90 BACE1 (0.31) ESR1ESR2BACE1ALDH1A1CYP1A2
SCHEMBL17849629 0.89 HSD17B1 (0.33) ESR1ESR2LPLLIPGCHRNB2
SCHEMBL13888824 0.89 CHRNA1 (0.31) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1
SCHEMBL12387538 0.88 KDM4E (0.33) ESR1ESR2ALDH1A1CYP1A2CYP2C9
SCHEMBL12387536 0.88 KDM4E (0.33) ESR1ESR2ALDH1A1CYP1A2CYP2C9
SCHEMBL13888819 0.88 — —
SCHEMBL13888823 0.88 — —
SCHEMBL17849615 0.87 BACE1 (0.31) ESR1ESR2HSD17B1HSD17B2BACE1
SCHEMBL13888825 0.86 KDM4E (0.30) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E

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-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-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
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 155/4885LPL 554/4885

“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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