SCHEMBL13735293

SCHEMBL13735293

C1=C2Nc3ccccc3C2CCC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 9/20 0.36
TSHR P16473 1/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
IDO1 P14902 1/20 0.31
ADRA2A P08913 2/20 0.30
ADRA1A P35348 2/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1B P35368 1/20 0.30
HTR1A P08908 1/20 0.30
OPRM1 P35372 1/20 0.30
CYP2D6 P10635 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL4727852 0.78 KMT2A (0.35) KDM4EMAPT
SCHEMBL10756431 0.73 KDM1A (0.33) HTR5ATSHRALDH1A1IDO1
SCHEMBL7837863 0.70 HTR5A (0.36) HTR5ATSHRALDH1A1MAPTADRA2A
SCHEMBL4905747 0.70 DDB1 (0.40) ALDH1A1MAPTPDE4APDE4BPDE4C
SCHEMBL14880451 0.69 BRD4 (0.41) ALDH1A1KDM4ECYP2D6
SCHEMBL6501917 0.67
SCHEMBL22203156 0.66
SCHEMBL10064030 0.66 ALDH1A1 (0.33) HTR5ATSHRALDH1A1IDO1
SCHEMBL11392187 0.65
SCHEMBL12603369 0.65 ADRA1A (0.55) ALDH1A1IDO1ADRA2AADRA1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246373-B1 ORGANIC MOLECULES FOR USE AS EMITTERS CYNORA GMBH (DE) 2019-01-30 EP claimed
EP-3137574-B1 ORGANIC MOLECULES FOR USE AS EMITTERS CYNORA GMBH (DE) 2018-04-04 EP claimed
EP-3246373-A1 ORGANIC MOLECULES FOR USE AS EMITTERS cynora GmbH (DE) 2017-11-22 EP claimed
US-20170288149-A1 ORGANIC MOLECULES FOR USE AS EMITTERS CYNORA GMBH (DE) 2017-10-05 US claimed
EP-3137574-A1 ORGANIC MOLECULES FOR USE AS EMITTERS cynora GmbH (DE) 2017-03-08 EP claimed
WO-2016042070-A1 ORGANIC MOLECULES FOR USE AS EMITTERS CYNORA GMBH (DE) 2016-03-24 WO claimed
CN-118159626-A Method for hydrotreating aromatic nitrogen compounds 托普索公司 2024-06-07 CN disclosed
WO-2023151359-A1 TETRAHYDROCARBAZOLE DERIVATIVE AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 深圳湾实验室 2023-08-17 WO disclosed
US-11572368-B2 Inhibitors of histone deacetylase THE GENERAL HOSPITAL CORPORATION (US) 2023-02-07 US disclosed
CN-114560804-A Tetrahydrocarbazole derivative and preparation method and application thereof 深圳湾实验室 2022-05-31 CN disclosed
EP-3611173-B1 ORGANIC LIGHT EMITTING ELEMENT AND COMPOSITION FOR ORGANIC MATERIAL LAYER IN ORGANIC LIGHT EMITTING ELEMENT LT MATERIALS CO LTD (KR) 2021-07-28 EP disclosed
WO-2021103060-A1 HOLE TRANSPORT MATERIAL, PREPARATION METHOD THEREFOR, AND ORGANIC LIGHT EMITTING DEVICE 武汉华星光电半导体显示技术有限公司 2021-06-03 WO disclosed
US-10662199-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2020-05-26 US disclosed
WO-2016042070-A1 ORGANIC MOLECULES FOR USE AS EMITTERS CYNORA GMBH (DE) 2016-03-24 WO disclosed
WO-2014088352-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-06-12 WO disclosed
US-20140080802-A1 Inhibitors of Histone Deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2014-03-20 US disclosed
US-20140080800-A1 Inhibitors of Histone Deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2014-03-20 US disclosed
EP-2701699-A1 INHIBITORS OF HISTONE DEACETYLASE The Broad Institute, Inc. (US) 2014-03-05 EP disclosed
EP-2626404-A1 Method of removing sulfur from crude oil and diesel using ionizing radiation King Abdulaziz City for Science & Technology (KACST) (SA) 2013-08-14 EP disclosed
WO-2012149540-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE INC (US) 2012-11-01 WO 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 (4 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-20140080800-A1 Inhibitors of Histone Deacetylase HDAC2, HDAC1, HDAC11 HTR5A 1566/4885TSHR 3090/4885ALDH1A1 1005/4885
US-10662199-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 HTR5A 1566/4885TSHR 3090/4885ALDH1A1 1005/4885
US-11572368-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 HTR5A 1566/4885TSHR 3090/4885ALDH1A1 1005/4885
US-20140080802-A1 Inhibitors of Histone Deacetylase HDAC2, HDAC1, HDAC11 HTR5A 1566/4885TSHR 3090/4885ALDH1A1 1005/4885

“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.