SCHEMBL3553779

SCHEMBL3553779

Brc1cc(Br)cc(-c2cccc3c2Cc2ccccc2-3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.46
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
EGFR P00533 1/20 0.37
MAOA P21397 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
KDR P35968 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL28013095 0.88 PNMT (0.45) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL28277385 0.85 PGR (0.40) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL7520992 0.84 PNMT (0.47) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL2877998 0.82 PNMT (0.61) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL29285259 0.82 PNMT (0.38) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL27759342 0.81 PNMT (0.46) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL6907601 0.81 PNMT (0.46) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL28851607 0.81 PNMT (0.52) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL524602 0.80 PNMT (0.63) PNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL30103334 0.80 PNMT (0.63) PNMTNPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2933852-B2 Phosphorescent OLED and hole transporting materials for phosphorescent OLEDs NOVALED GMBH (DE) 2023-09-06 EP disclosed
CN-105906546-B Fluorine derivative for organic electroluminescence device 默克专利有限公司 2019-02-22 CN disclosed
CN-104327003-B Fluorine derivative for organic electroluminescence device 默克专利有限公司 2017-10-24 CN disclosed
EP-2933852-B1 Phosphorescent OLED and hole transporting materials for phosphorescent OLEDs NOVALED GMBH (DE) 2017-05-17 EP disclosed
US-20170047519-A1 Phosphorescent OLED and Hole Transporting Materials for Phosphorescent OLEDs NOVALED GMBH (DE) 2017-02-16 US disclosed
CN-105906546-A FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES 默克专利有限公司 2016-08-31 CN disclosed
WO-2015158886-A1 PHOSPHORESCENT OLED AND HOLE TRANSPORTING MATERIALS FOR PHOSPHORESCENT OLEDS NOVALED GMBH (DE) 2015-10-22 WO disclosed
EP-2933852-A1 Phosphorescent OLED and hole transporting materials for phosphorescent OLEDs Novaled GmbH (DE) 2015-10-21 EP disclosed
CN-104327003-A FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH 2015-02-04 CN disclosed
EP-2260023-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES Merck Patent GmbH (DE) 2010-12-15 EP disclosed
WO-2009124627-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2009-10-15 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 (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-20170047519-A1 Phosphorescent OLED and Hole Transporting Materials for Phosphorescent OLEDs OCIAD2, OCIAD1, SLCO4C1 PNMT 153/4885NPC1 26/4885RAB9A 820/4885

“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.