SCHEMBL15030838

SCHEMBL15030838

c1ccc(-c2ccccc2-c2ccc3c(c2)C2(c4cc(-c5ccccc5-c5ccccc5)ccc4N3c3ccccc3)c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.33
PDK2 Q15119 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
OPRK1 P41145 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRM5 P41594 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
RXRA P19793 1/20 0.32
PDE6D O43924 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
CFTR P13569 1/20 0.30
GOPC Q9HD26 1/20 0.30
MGLL Q99685 1/20 0.30
CES2 O00748 1/20 0.30

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
SCHEMBL15030822 0.89 PGR (0.41) PGRPDK2GRM5ADAMTS5RARB
SCHEMBL12109064 0.84 ALDH1A1 (0.35) PGRLMNAADAMTS5MGLLCES2
SCHEMBL15030716 0.84 GRM5 (0.33) PGRPDK2GRM5ADAMTS5RARB
SCHEMBL13827269 0.82 FAAH (0.41) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL13827252 0.81 FAAH (0.38) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL21868624 0.81 ALDH1A1 (0.35) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL25496091 0.80 KDM4E (0.39) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL15183541 0.80 PDK2 (0.41) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL21578531 0.80 PDK2 (0.38) PGRPDK2KDM4EMEN1LMNA
SCHEMBL17197549 0.80 PDK2 (0.37) PDK2MEN1LMNAMAPTKMT2A

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 PGR 2481/4885PDK2 202/4885KDM4E 3566/4885
US-10396297-B2 Materials for electronic devices DDT, PNMT, COMT PGR 1715/4885PDK2 413/4885KDM4E 3105/4885
US-20170331053-A1 MATERIALS FOR ELECTRONIC DEVICES DDT, PNMT, COMT PGR 1715/4885PDK2 413/4885KDM4E 3105/4885

“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.