SCHEMBL23568147

SCHEMBL23568147

Clc1c(Br)cc(-c2ccccc2)cc1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
AKR1C2 P52895 2/20 0.47
AKR1C1 Q04828 2/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
ALDH1A1 P00352 6/20 0.46
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 1/20 0.46
ESR2 Q92731 1/20 0.40
APEX1 P27695 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2A6 P11509 1/20 0.37
HSP90AA1 P07900 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSP90AB1 P08238 1/20 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
SCHEMBL25489732 0.89 CRHBP (0.54) CRHBPCRHR2AKR1C2AKR1C1AKR1C4
SCHEMBL30887358 0.85 CRHBP (0.50) CRHBPCRHR2AKR1C2AKR1C1AKR1C4
SCHEMBL22819599 0.85 CRHBP (0.50) CRHBPCRHR2AKR1C2AKR1C1AKR1C4
SCHEMBL24442811 0.85 CRHBP (0.50) CRHBPCRHR2AKR1C2AKR1C1AKR1C4
SCHEMBL30503055 0.85 CRHBP (0.50) CRHBPCRHR2AKR1C2AKR1C1AKR1C4
SCHEMBL27024549 0.83 CRHBP (0.48) CRHBPCRHR2AKR1C2AKR1C1AKR1C4
SCHEMBL29662848 0.79 APEX1 (0.67) CRHBPCRHR2AKR1C2AKR1C1AKR1C4
SCHEMBL25295329 0.78 CRHBP (0.52) CRHBPCRHR2AKR1C2AKR1C1AKR1C4
SCHEMBL22717286 0.77 CRHBP (0.62) CRHBPCRHR2AKR1C2AKR1C1AKR1C4
SCHEMBL457778 0.76 ESR2 (0.52) CRHBPCRHR2AKR1C2AKR1C1AKR1C4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118255792-A Organic compound and application thereof, and organic electroluminescent device comprising organic compound 北京鼎材科技有限公司 2024-06-28 CN disclosed
US-20240209006-A1 ORGANIC COMPOUND, LIGHT-EMITTING ELEMENT, AND DISPLAY PANEL SHENZHEN CHINA STAR OPTOELECTRONICS SEMICONDUCTOR DISPLAY TECHNOLOGY CO., LTD. (CN) 2024-06-27 US disclosed
US-20230157170-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-05-18 US disclosed
US-20230157170-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-05-18 US disclosed
US-20230104248-A1 POLYCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-04-06 US disclosed
CN-114539296-A Boron-containing organic compound and application thereof 北京鼎材科技有限公司 2022-05-27 CN disclosed
WO-2021185712-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-09-23 WO disclosed
WO-2021185829-A1 HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-09-23 WO disclosed
WO-2021122740-A1 POLYCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-06-24 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 (3 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-20230104248-A1 POLYCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES VDAC2, VDAC3, KCNC1 CRHBP 3678/4885CRHR2 3847/4885AKR1C2 3383/4885
US-20240209006-A1 ORGANIC COMPOUND, LIGHT-EMITTING ELEMENT, AND DISPLAY PANEL NR2E3, NR2C2, NR4A2 CRHBP 1464/4885CRHR2 194/4885AKR1C2 1446/4885
US-20230157170-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES DDT, CTCF, EED CRHBP 3773/4885CRHR2 4063/4885AKR1C2 2675/4885

“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.