SCHEMBL10034424

SCHEMBL10034424

CC1(C)c2cc(Br)ccc2-c2ccc(-c3cccc4ccccc34)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.40
▸ ACMSD Q8TDX5 1/20 0.40
▸ ENPP3 O14638 1/20 0.40
▸ ENPP1 P22413 1/20 0.40
▸ PDK2 Q15119 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CHRNB4 P30926 2/20 0.37
▸ CHRNA3 P32297 2/20 0.37
▸ CHRNA1 P02708 1/20 0.37
▸ CHRNG P07510 1/20 0.37
▸ CHRNB1 P11230 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ CHRND Q07001 1/20 0.37
▸ CA12 O43570 4/20 0.36
▸ CA1 P00915 4/20 0.36

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
SCHEMBL15158452 0.89 PDK2 (0.36) MCL1ACMSDENPP3ENPP1PDK2
SCHEMBL14912402 0.87 CRHBP (0.39) PDK2CA1CA2
SCHEMBL28852694 0.86 MEN1 (0.38) MCL1ACMSDENPP3ENPP1PDK2
SCHEMBL19383271 0.86 PDK2 (0.42) MCL1ACMSDENPP3ENPP1PDK2
SCHEMBL10034430 0.86 CYP11B1 (0.38) PDK2CA1CA2
SCHEMBL16755462 0.86 ALDH1A1 (0.38) PDK2CA12CA1CA2CA9
SCHEMBL15463932 0.85 AR (0.33) MCL1ACMSDENPP3ENPP1PDK2
SCHEMBL12781884 0.85 PDK2 (0.38) PDK2CA1CA2
SCHEMBL23605907 0.85 ALDH1A1 (0.39) ENPP3ENPP1PDK2
SCHEMBL17209213 0.85 NTSR1 (0.33) MCL1ACMSDENPP3ENPP1HDAC8

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11258018-B2 Compounds and organic electronic devices MERCK PATENT GMBH (DE) 2022-02-22 — — US disclosed
US-20190348605-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-11-14 — — US disclosed
US-20170317285-A1 Compounds and Organic Electronic Devices MERCK PATENT GMBH (DE) 2017-11-02 — — US disclosed
US-20170317285-A1 Compounds and Organic Electronic Devices MERCK PATENT GMBH (DE) 2017-11-02 — — US disclosed
US-9768391-B2 Derivatives of 2-diarylaminofluorene and organic electronic compounds containing them MERCK PATENT GMBH (DE) 2017-09-19 — — US disclosed
US-9768391-B2 Derivatives of 2-diarylaminofluorene and organic electronic compounds containing them MERCK PATENT GMBH (DE) 2017-09-19 — — US disclosed
EP-2875699-B1 DERIVATES OF 2-DIARYLAMINOFLUOREN AND ORGANIC ELECTRONIC DEVICES COMPRISING THE SAME MERCK PATENT GMBH (DE) 2017-02-15 — — EP disclosed
US-9184395-B2 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2015-11-10 — — US disclosed
US-9184395-B2 Aromatic amine derivative and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2015-11-10 — — US disclosed
US-20150207075-A1 DERIVATIVES OF 2-DIARYLAMINOFLUORENE AND ORGANIC ELECTRONIC COMPOUNDS CONTAINING THEM MERCK PATENT GMBH (DE) 2015-07-23 — — US disclosed
US-20150207075-A1 DERIVATIVES OF 2-DIARYLAMINOFLUORENE AND ORGANIC ELECTRONIC COMPOUNDS CONTAINING THEM MERCK PATENT GMBH (DE) 2015-07-23 — — US disclosed
US-8980442-B2 Aromatic amine derivative and organic electroluminescent element using same MITSUI CHEMICALS, INC. (JP) 2015-03-17 — — US disclosed
US-8980442-B2 Aromatic amine derivative and organic electroluminescent element using same MITSUI CHEMICALS, INC. (JP) 2015-03-17 — — US disclosed
EP-2415752-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME Mitsui Chemicals, Inc. (JP) 2012-02-08 — — EP disclosed
US-20120012832-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME MITSUI CHEMICALS, INC. (JP) 2012-01-19 — — US disclosed
US-20120012832-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME MITSUI CHEMICALS, INC. (JP) 2012-01-19 — — 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 (5 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-20150207075-A1 DERIVATIVES OF 2-DIARYLAMINOFLUORENE AND ORGANIC ELECTRONIC COMPOUNDS CONTAINING THEM DDT, AFF2, CYP2F1 MCL1 1771/4885ACMSD 703/4885ENPP3 188/4885
US-20190348605-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICES ETV6, CYP2C19, AFF2 MCL1 1851/4885ACMSD 1011/4885ENPP3 302/4885
US-20170317285-A1 Compounds and Organic Electronic Devices ETV6, CYP2C19, AFF2 MCL1 1851/4885ACMSD 1011/4885ENPP3 302/4885
US-11258018-B2 Compounds and organic electronic devices ETV6, CYP2C19, AFF2 MCL1 1851/4885ACMSD 1011/4885ENPP3 302/4885
US-20120012832-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME MAOA, MAOB, TYR MCL1 3970/4885ACMSD 1172/4885ENPP3 3234/4885

“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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