SCHEMBL13251040

SCHEMBL13251040

COc1ccc(-c2cc(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(-c5ccc(OC)cc5)cc(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc2c3c45)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ ACACA Q13085 1/20 0.49
▸ ABCB1 P08183 3/20 0.47
▸ ABL1 P00519 2/20 0.47
▸ BCR P11274 2/20 0.47
▸ CYP11B2 P19099 3/20 0.47
▸ CYP11B1 P15538 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2B6 P20813 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HSD17B1 P14061 1/20 0.45
▸ HSD17B2 P37059 1/20 0.45
▸ NT5E P21589 1/20 0.45
▸ AURKA O14965 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ PTGS2 P35354 1/20 0.43
▸ ESR1 P03372 1/20 0.43

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
SCHEMBL13251173 1.00 CYP1A2 (0.50) CYP1A2CYP2A6ACACAABCB1ABL1
SCHEMBL13251065 0.85 ACACA (0.59) ACACAABCB1ABL1BCRCYP3A4
SCHEMBL13251023 0.85 ABL1 (0.52) CYP1A2ACACAABCB1ABL1BCR
SCHEMBL1896522 0.85 CYP1A2 (0.68) CYP1A2CYP2A6ABCB1ABL1BCR
SCHEMBL13251044 0.84 CHRNB4 (0.50) CYP11B2CYP11B1ESR1ESR2NPC1
SCHEMBL13251177 0.84 CHRNB4 (0.50) CYP11B2CYP11B1ESR1ESR2NPC1
SCHEMBL13250997 0.83 ACACA (0.51) CYP1A2CYP2A6ACACAABCB1ABL1
SCHEMBL13251116 0.83 ACACA (0.51) CYP1A2CYP2A6ACACAABCB1ABL1
SCHEMBL13251158 0.83 ACACA (0.51) CYP1A2ACACAABCB1ABL1BCR
SCHEMBL13251026 0.83 ACACA (0.51) CYP1A2ACACAABCB1ABL1BCR

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 CYP1A2 1335/4885CYP2A6 1089/4885ACACA 3658/4885

“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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