SCHEMBL15030645

SCHEMBL15030645

c1ccc(-c2cccc(N3c4ccccc4C4(c5ccccc5Oc5ccccc54)c4ccc(-c5ccccc5)cc43)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
FAAH O00519 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
MGLL Q99685 1/20 0.39
DHFR P00374 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
USP2 O75604 3/20 0.32
TP53 P04637 3/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2D6 P10635 3/20 0.32
MAPK1 P28482 3/20 0.32
HSD17B10 Q99714 3/20 0.32
COMT P21964 2/20 0.32
HIF1A Q16665 1/20 0.32
BACE1 P56817 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
SCHEMBL15030883 0.94 FAAH (0.37) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL15030671 0.93 FAAH (0.36) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL16186675 0.92 ALDH1A1 (0.39) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL15030759 0.92 ALDH1A1 (0.39) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL15030755 0.91 ALDH1A1 (0.38) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL16186674 0.90 FAAH (0.36) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL15030665 0.90 FAAH (0.34) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL15030757 0.90 ALDH1A1 (0.41) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL16186705 0.88 ALDH1A1 (0.33) ALDH1A1FAAHHSP90AA1PKMHTT
SCHEMBL15030882 0.87 MEN1 (0.34) ALDH1A1FAAHHSP90AA1PKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10396297-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-08-27 US disclosed
US-10305040-B2 Spiro dihydroacridine derivatives and the use thereof as materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2019-05-28 US disclosed
US-20170331053-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-11-16 US disclosed
US-20170331053-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-11-16 US disclosed
EP-2780325-B1 SPIRO-DIHYDROACRIDINE DERIVATIVES AND THEIR USE AS MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-02-03 EP disclosed
US-20140316134-A1 SPIRO DIHYDROACRIDINE DERIVATIVES AND THE USE THEREOF AS MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2014-10-23 US disclosed
US-20140316134-A1 SPIRO DIHYDROACRIDINE DERIVATIVES AND THE USE THEREOF AS MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2014-10-23 US disclosed
WO-2013083216-A1 SPIRO DIHYDROACRIDINE DERIVATIVES AND THE USE THEREOF AS MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2013-06-13 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-10305040-B2 Spiro dihydroacridine derivatives and the use thereof as materials for organic electroluminescence devices SORD, ALDH1A1, SDHA ALDH1A1 2/4885FAAH 4733/4885HSP90AA1 1096/4885
US-10396297-B2 Materials for electronic devices DDT, PNMT, COMT ALDH1A1 423/4885FAAH 1967/4885HSP90AA1 4358/4885
US-20170331053-A1 MATERIALS FOR ELECTRONIC DEVICES DDT, PNMT, COMT ALDH1A1 423/4885FAAH 1967/4885HSP90AA1 4358/4885

“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.