SCHEMBL16553301

SCHEMBL16553301

OB(O)c1cccc2cc(Br)ccc12

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ERN1 O75460 1/20 0.39
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NCEH1 Q6PIU2 2/20 0.36
PLAU P00749 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TSHR P16473 1/20 0.35
DAO P14920 1/20 0.35
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL28704846 0.85 CYP2A6 (0.43) CYP2A6MEN1KMT2ARXFP1ALDH1A1
SCHEMBL16218700 0.80 CYP2A6 (0.41) CYP2A6MEN1KMT2ARXFP1MAPT
SCHEMBL29957465 0.78 TLR8 (0.46) CYP1A2
SCHEMBL3186823 0.78 CYP1A2 (0.59) CYP2A6ALDH1A1KDM4ECA2CYP1A2
SCHEMBL4794960 0.78 TLR8 (0.46) CYP1A2
SCHEMBL29091226 0.77 CYP1A2 (0.41) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL24794301 0.77 CYP2A6 (0.43) CYP2A6TSHRCYP1A2POLB
SCHEMBL29957928 0.77 PLAU (0.58) MAPTALDH1A1KDM4EPLAUCA1
SCHEMBL29953232 0.77 CYP1A2 (0.43) CYP2A6CYP1A2
SCHEMBL17728138 0.77 CYP1A2 (0.43) CYP2A6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240074306-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC LAYER LT MATERIALS CO., LTD. (KR) 2024-02-29 US disclosed
US-20240023433-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME, MANUFACTURING METHOD OF THE SAME AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO., LTD. (KR) 2024-01-18 US disclosed
US-20240023433-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME, MANUFACTURING METHOD OF THE SAME AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO., LTD. (KR) 2024-01-18 US disclosed
CN-109206422-B Bipolar compound based on 1,3, 4-thiadiazole and preparation method and application thereof 湖北尚赛光电材料有限公司 2022-03-18 CN disclosed
US-9825231-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-11-21 US disclosed
WO-2017030307-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC APPARATUS COMPRISING SAME 덕산네오룩스 주식회사 2017-02-23 WO disclosed
WO-2017030307-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC APPARATUS COMPRISING SAME 덕산네오룩스 주식회사 2017-02-23 WO disclosed
US-20150069347-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-03-12 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 (2 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-20240074306-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, MANUFACTURING METHOD THEREFOR, AND COMPOSITION FOR ORGANIC LAYER CYP1B1, NOTUM, WEE1 CYP2A6 264/4885MEN1 364/4885KMT2A 2161/4885
US-20240023433-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME, MANUFACTURING METHOD OF THE SAME AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE CYP1A1, CYP1B1, CYP2C9 CYP2A6 129/4885MEN1 710/4885KMT2A 1349/4885

“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.