SCHEMBL16670582

SCHEMBL16670582

Brc1ccc2ccc3c(c2c1Br)Cc1ccccc1-3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.40
HTR7 P34969 2/20 0.36
HTR2B P41595 2/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PGR P06401 1/20 0.35
CYP3A4 P08684 2/20 0.34
TSHR P16473 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL784717 0.84 PNMT (0.46) PNMTHTR7HTR2BALDH1A1NPC1
SCHEMBL29453593 0.84 PNMT (0.46) PNMTHTR7HTR2BALDH1A1NPC1
SCHEMBL4855313 0.76 CA1 (0.42) PNMTHTR7HTR2BALDH1A1NPC1
SCHEMBL30751048 0.75 PNMT (0.49) PNMTHTR7HTR2BALDH1A1NPC1
SCHEMBL29562822 0.75 PGR (0.41) PNMTHTR7HTR2BALDH1A1NPC1
SCHEMBL28417464 0.75 PGR (0.41) PNMTHTR7HTR2BALDH1A1NPC1
SCHEMBL6018186 0.74 PNMT (0.43) PNMTHTR7HTR2BALDH1A1NPC1
SCHEMBL29577684 0.74 PNMT (0.43) PNMTHTR7HTR2BALDH1A1NPC1
SCHEMBL18243593 0.74 PNMT (0.43) PNMTHTR7HTR2BALDH1A1NPC1
SCHEMBL5497772 0.74 PNMT (0.43) PNMTHTR7HTR2BALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113501778-B Blue light-emitting compound 株式会社LG化学 2024-06-14 CN disclosed
CN-113501778-A Blue light-emitting compound 株式会社LG化学 2021-10-15 CN disclosed
US-10700284-B2 Photoactive composition LG CHEM, LTD. (KR) 2020-06-30 US disclosed
US-9711731-B2 Blue luminescent compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2017-07-18 US disclosed
US-20170025608-A1 PHOTOACTIVE COMPOSITION LG CHEM, LTD. (KR) 2017-01-26 US disclosed
US-20160254450-A1 BLUE LUMINESCENT COMPOUNDS LG CHEM, LTD. (KR) 2016-09-01 US disclosed
WO-2015061198-A1 BLUE LUMINESCENT COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-04-30 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-20160254450-A1 BLUE LUMINESCENT COMPOUNDS ARRB1, RORA, IK PNMT 4375/4885HTR7 1213/4885HTR2B 875/4885
US-20170025608-A1 PHOTOACTIVE COMPOSITION L1CAM, EPCAM, GJB2 PNMT 974/4885HTR7 2814/4885HTR2B 463/4885
US-10700284-B2 Photoactive composition L1CAM, EPCAM, GJB2 PNMT 974/4885HTR7 2814/4885HTR2B 463/4885

“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.