SCHEMBL19781085

SCHEMBL19781085

O=C1C=C(c2ccccc2Br)CC(c2ccccc2Br)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 2/20 0.44
BRD4 O60885 1/20 0.44
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM1A O60341 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.33
RECQL P46063 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
SCHEMBL21662330 0.88 MAP1LC3B (0.35) MAP1LC3BBRD4ALDH1A1MAPK1SMN1; SMN2
SCHEMBL23956045 0.86 MAP1LC3B (0.36) MAP1LC3BBRD4ALDH1A1MAPK1SMN1; SMN2
SCHEMBL21661971 0.85 NPC1 (0.46) MAP1LC3BALDH1A1MAPK1SMN1; SMN2LMNA
SCHEMBL21662147 0.85 L3MBTL1 (0.36) MAP1LC3BBRD4ALDH1A1MAPK1SMN1; SMN2
SCHEMBL21662240 0.85 MAP1LC3B (0.36) MAP1LC3BBRD4ALDH1A1MAPK1SMN1; SMN2
SCHEMBL21662337 0.85 L3MBTL1 (0.43) MAP1LC3BBRD4ALDH1A1L3MBTL1TDP1
SCHEMBL21662143 0.85 L3MBTL1 (0.45) MAP1LC3BBRD4ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL21661972 0.85 L3MBTL1 (0.43) MAP1LC3BBRD4ALDH1A1L3MBTL1TDP1
SCHEMBL21662151 0.84 ALDH1A1 (0.39) MAP1LC3BBRD4ALDH1A1MAPK1SMN1; SMN2
SCHEMBL21662246 0.84 ALDH1A1 (0.39) MAP1LC3BBRD4ALDH1A1MAPK1SMN1; SMN2

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-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
EP-3601257-B1 AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2021-10-27 EP disclosed
EP-3507294-B1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-24 EP disclosed
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices MERCK PATENT GMBH 2021-01-12 US disclosed
EP-3484868-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
EP-3526227-B1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-06-03 EP disclosed
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-02-13 US disclosed
US-20200039903-A1 AROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2020-02-06 US disclosed
US-20190315787-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-10-17 US disclosed
US-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-07-04 US disclosed
WO-2018069196-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-04-19 WO disclosed
WO-2018041769-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-03-08 WO disclosed
WO-2018011186-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-01-18 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 (7 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-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES PARN, PUF60, PARG MAP1LC3B 3359/4885BRD4 361/4885ALDH1A1 3712/4885
US-20200039903-A1 AROMATIC COMPOUNDS PAH, ALG3, DDC MAP1LC3B 1324/4885BRD4 337/4885ALDH1A1 666/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG MAP1LC3B 3359/4885BRD4 361/4885ALDH1A1 3712/4885
US-20190315787-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 MAP1LC3B 1407/4885BRD4 852/4885ALDH1A1 3754/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 MAP1LC3B 1407/4885BRD4 852/4885ALDH1A1 3754/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 MAP1LC3B 1407/4885BRD4 852/4885ALDH1A1 3754/4885
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES BICRA, NCLN, IMMT MAP1LC3B 1477/4885BRD4 157/4885ALDH1A1 4235/4885

“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.