SCHEMBL21313428

SCHEMBL21313428

N#Cc1ccc(-c2ccc(Br)c3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
TNKS O95271 1/20 0.40
MMP3 P08254 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
PDK2 Q15119 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
TDO2 P48775 1/20 0.37
CYP11B2 P19099 2/20 0.37
KIF11 P52732 2/20 0.36
SLC22A12 Q96S37 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
SCHEMBL29847362 1.00 TSHR (0.41) TSHRTNKSMMP3CA1CA2
SCHEMBL21398909 0.98 MMP3 (0.42) TSHRTNKSMMP3CA1CA2
SCHEMBL30451858 0.88 TSHR (0.52) TSHRTNKSMMP3CA1CA2
SCHEMBL18322222 0.88 TSHR (0.52) TSHRTNKSMMP3CA1CA2
SCHEMBL28424814 0.87 PRKDC (0.41) TNKSMMP3CA1CA2CA12
SCHEMBL23624435 0.87 MAOB (0.50) TSHRTNKSMMP3MAOAMAOB
SCHEMBL9971888 0.84 ALDH1A1 (0.44) CA1CA2CA12CA9SLC22A12
SCHEMBL22155103 0.81 TNKS (0.40) TSHRTNKSMMP3CA1CA2
SCHEMBL28953819 0.80 SLC22A12 (0.35) MMP3CA1CA2CA12CA9
SCHEMBL22049794 0.79 ALDH1A1 (0.61) TSHRTNKSMMP3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11737358-B2 Compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2023-08-22 US disclosed
US-11737358-B2 Compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2023-08-22 US disclosed
WO-2023138254-A1 HETEROCYCLIC COMPOUND, AND ORGANIC ELECTROLUMINESCENT MATERIAL AND ELEMENT 上海八亿时空先进材料有限公司 2023-07-27 WO disclosed
CN-116396286-A Electron transport material, organic electroluminescent device and device preparation method thereof 安庆飞凯新材料有限公司 2023-07-07 CN disclosed
CN-115038706-A Compound, organic electroluminescent device and display device SK株式会社 2022-09-09 CN disclosed
WO-2021125622-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT, AND DISPLAY DEVICE 에스케이머티리얼즈 주식회사 2021-06-24 WO disclosed
CN-111989315-A Organic material for electronic optoelectronic devices and electronic devices comprising said organic material 诺瓦尔德股份有限公司 2020-11-24 CN disclosed
WO-2019182402-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2019-09-26 WO disclosed
EP-3533788-A1 ORGANIC MATERIAL FOR AN ELECTRONIC OPTOELECTRONIC DEVICE AND ELECTRONIC DEVICE COMPRISING THE ORGANIC MATERIAL Novaled GmbH (DE) 2019-09-04 EP disclosed
EP-3533788-A1 ORGANIC MATERIAL FOR AN ELECTRONIC OPTOELECTRONIC DEVICE AND ELECTRONIC DEVICE COMPRISING THE ORGANIC MATERIAL Novaled GmbH (DE) 2019-09-04 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 (1 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-11737358-B2 Compound and organic light emitting device comprising same ARNT, CYP1A1, AHR TSHR 1296/4885TNKS 2959/4885MMP3 4336/4885

“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.