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Sugi Predict / Compounds / SCHEMBL16629705

SCHEMBL16629705

SCHEMBL16629705

CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3n4-c3cccc4ccc5cccnc5c34)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ AKT1 P31749 1/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ CCR1 P32246 3/20 0.31
▸ CCR5 P51681 3/20 0.31
▸ CCR8 P51685 3/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ GMNN O75496 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MMP9 P14780 1/20 0.31

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
SCHEMBL16629676 0.97 NPY5R (0.32) MAPTKDM4ENPSR1AKT1HTR2A
SCHEMBL16629703 0.92 NPY5R (0.32) MAPTKDM4ENPSR1LMNACYP3A4
SCHEMBL17946128 0.88 METAP2 (0.30) METAP2
SCHEMBL16629615 0.88 METAP2 (0.30) METAP2
SCHEMBL17945949 0.88 MAPT (0.36) MAPTKDM4ENPSR1AKT1HTR2A
SCHEMBL16629678 0.87 AKT1 (0.32) MAPTKDM4ENPSR1AKT1CCR1
SCHEMBL16629683 0.86 MAPT (0.34) MAPTKDM4ENPSR1CCR1CCR5
SCHEMBL16629672 0.84 PTGES (0.31) AKT1CYP3A4METAP2GAA
SCHEMBL17946235 0.83 MAPT (0.34) MAPTKDM4ENPSR1CCR1CCR5
SCHEMBL16629902 0.82 MAPT (0.34) MAPTKDM4ENPSR1AKT1CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 2400/4885KDM4E 1939/4885NPSR1 1205/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 MAPT 2400/4885KDM4E 1939/4885NPSR1 1205/4885

“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.