SCHEMBL16629661

SCHEMBL16629661

Brc1ccc2oc3ccc(-c4cccc5ccc6cccnc6c45)cc3c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 3/20 0.38
CCR1 P32246 3/20 0.38
CCR5 P51681 3/20 0.38
CCR8 P51685 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MMP2 P08253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL21622830 0.93 CCR1 (0.44) HTTKDM4ECCR1CCR5CCR8
SCHEMBL16629927 0.89 ALOX5 (0.39) HTTCYP1A2CYP2C19KDM4ECCR1
SCHEMBL21622822 0.87 PIM1 (0.41) HTTKDM4ECCR1CCR5CCR8
SCHEMBL16629926 0.86 KDM4E (0.37) HTTCYP1A2CYP2C19KDM4ECCR1
SCHEMBL21622503 0.86 CCR1 (0.38) HTTKDM4ECCR1CCR5CCR8
SCHEMBL21622598 0.86 CSNK2A2 (0.40) HTTCYP1A2CYP2C19KDM4ECCR1
SCHEMBL21622500 0.85 KDM4E (0.37) HTTKDM4ECCR1CCR5CCR8
SCHEMBL21622577 0.84 ALOX5 (0.40) HTTCYP1A2CYP2C19KDM4ECCR1
SCHEMBL21622684 0.84 HCRTR1 (0.40) HTTKDM4ECCR1CCR5CCR8
SCHEMBL21622506 0.83 MAPT (0.40) HTTCYP1A2CYP2C19KDM4ECCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820965-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-01-25 EP disclosed
WO-2020011658-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-01-16 WO disclosed
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices MERCK PATENT GMBH (DE) 2019-09-10 US disclosed
US-20160214942-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-07-28 US disclosed
US-20160214942-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-07-28 US disclosed
WO-2015049022-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-04-09 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 (2 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-20160214942-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES KCNQ1, KCNH1, KCNQ2 HTT 330/4885CYP1A2 30/4885CYP2C19 41/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 HTT 330/4885CYP1A2 30/4885CYP2C19 41/4885

“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.