SCHEMBL3084645

SCHEMBL3084645

CCCCCCOc1ccc2c[c]ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.49
THRA P10827 1/20 0.48
TSHR P16473 2/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
TP53 P04637 1/20 0.44
LTA4H P09960 3/20 0.44
PLA2G4B P0C869 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL9698665 1.00 NR5A1 (0.49) NR5A1THRATSHRCA12CA1
SCHEMBL7445348 1.00 NR5A1 (0.49) NR5A1THRATSHRCA12CA1
SCHEMBL2231848 0.95 CA12 (0.47) NR5A1THRACA12CA1CA2
SCHEMBL667266 0.92 CA12 (0.45) THRACA12CA1CA2CA3
SCHEMBL2257425 0.90 CA12 (0.44) THRACA12CA1CA2CA3
SCHEMBL2253453 0.90 CA12 (0.44) THRACA12CA1CA2CA3
SCHEMBL10642885 0.86 NR5A1 (0.62) NR5A1THRATSHRCA12CA1
SCHEMBL347683 0.86 NR5A1 (0.62) NR5A1THRATSHRCA12CA1
SCHEMBL4945033 0.86 NR5A1 (0.62) NR5A1THRATSHRCA12CA1
SCHEMBL669106 0.85 CA12 (0.45) CA12CA1CA2CA3CA4

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110473989-B Method for manufacturing organic light emitting element 株式会社LG化学 2022-05-27 CN disclosed
US-11152574-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2021-10-19 US disclosed
US-11094888-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2021-08-17 US disclosed
US-20210083194-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE IDEMITSU KOSAN CO., LTD. (JP) 2021-03-18 US disclosed
EP-2657315-B1 ORGANIC LIGHT-EMITTING DEVICE LG CHEMICAL LTD (KR) 2020-12-16 EP disclosed
CN-109923689-B Method for purifying organic substance used as material of organic light-emitting element 株式会社LG化学 2020-06-19 CN disclosed
US-10283717-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2019-05-07 US disclosed
US-10263192-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2019-04-16 US disclosed
US-9960360-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2018-05-01 US disclosed
US-20180090685-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE IDEMITSU KOSAN CO., LTD. (JP) 2018-03-29 US disclosed
EP-1400578-A1 Electrolumisescent 9,9-bis(4-amino)-1,1'-biphenyl)fluorene derivatives Tosoh Corporation (JP) 2004-03-24 EP disclosed
US-20030087126-A1 Hydrocarbon compound, material for organic electroluminescent element and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2003-05-08 US disclosed
EP-1221434-A1 HYDROCARBON COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT Mitsui Chemicals, Inc. (JP) 2002-07-10 EP disclosed
EP-0534257-B1 Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof MITSUI TOATSU CHEMICALS (JP) 1997-03-12 EP disclosed
EP-0524419-B1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS (JP) 1995-09-06 EP disclosed
US-5391806-A A storage stable chromogens as color-developing agent or stabilizers MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-02-21 US disclosed
US-5306688-A Color-forming, electron donating compound and electron accepting compound; storage stability of uncolored portion MITSUI TOATSU CHEMICALS, INC. (JP) 1994-04-26 US disclosed
US-5270281-A Chromogenic compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-12-14 US disclosed
EP-0534257-A1 Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-03-31 EP disclosed
EP-0524419-A1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-27 EP 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 (6 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-11152574-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle RPL21, RPS21, AOC2 NR5A1 1138/4885THRA 3813/4885TSHR 3949/4885
US-20210083194-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE RPL21, RPS21, AOC2 NR5A1 1138/4885THRA 3813/4885TSHR 3949/4885
US-20180090685-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE SLC18A1, SLC18A2, AOC2 NR5A1 1862/4885THRA 2431/4885TSHR 2393/4885
US-10283717-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle SLC18A1, SLC18A2, AOC2 NR5A1 1862/4885THRA 2431/4885TSHR 2393/4885
US-11094888-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle SLC18A1, SLC18A2, AOC2 NR5A1 1862/4885THRA 2431/4885TSHR 2393/4885
US-10263192-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle SLC18A1, SLC18A2, AOC2 NR5A1 1862/4885THRA 2431/4885TSHR 2393/4885

“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.