SCHEMBL16629689

SCHEMBL16629689

c1ccc(-c2ccc3c(c2)Oc2cc(-c4ccccc4)ccc2N3c2cccc3ccc4cccnc4c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE6D O43924 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MMP2 P08253 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ TEAD4 Q15561 1/20 0.35
▸ GMNN O75496 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ CCR1 P32246 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ MTOR P42345 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
SCHEMBL16629698 0.84 PDE6D (0.43) PDE6DALDH1A1KDM4EMAPTMMP2
SCHEMBL16629688 0.84 KDM4E (0.36) PDE6DALDH1A1KDM4EMAPTMMP2
SCHEMBL16629674 0.83 PDE6D (0.45) PDE6DALDH1A1KDM4EMAPTMMP2
SCHEMBL16629673 0.83 PDE6D (0.37) PDE6DALDH1A1KDM4EMAPTMMP2
SCHEMBL16629702 0.82 EGLN1 (0.36) PDE6DALDH1A1KDM4EMAPTMMP2
SCHEMBL16629690 0.81 KDM4E (0.36) PDE6DALDH1A1KDM4EMAPTMMP2
SCHEMBL16629682 0.81 PDE6D (0.39) PDE6DALDH1A1KDM4EMAPTMMP2
SCHEMBL16629675 0.80 PDE6D (0.37) PDE6DALDH1A1KDM4EMAPTMMP2
SCHEMBL17954497 0.76 PDE6D (0.39) PDE6DALDH1A1KDM4EMAPTLMNA
SCHEMBL18770801 0.75 POLB (0.41) PDE6DALDH1A1MAPTTSHRCYP2D6

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 PDE6D 3806/4885ALDH1A1 648/4885KDM4E 1939/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 PDE6D 3806/4885ALDH1A1 648/4885KDM4E 1939/4885

“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.

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