SCHEMBL15030801

SCHEMBL15030801

Cc1ccccc1-c1ccc2c(c1)C1(c3ccccc3Sc3ccccc31)c1cc(-c3ccccc3C)ccc1N2c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.40
DRD2 P14416 2/20 0.40
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
MCL1 Q07820 1/20 0.35
PGR P06401 2/20 0.33
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33
GRM5 P41594 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
NR3C1 P04150 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
TRPA1 O75762 1/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
CREBBP Q92793 1/20 0.31
ADORA1 P30542 1/20 0.31
ENPP3 O14638 1/20 0.31
ENPP1 P22413 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
SCHEMBL15030701 0.84 ADAMTS5 (0.35) PDK2DRD2PGRADAMTS5
SCHEMBL16186699 0.82 CTSD (0.41) PDK2DRD2HTR1AHTR7MCL1
SCHEMBL16186701 0.80 BACE1 (0.39) PDK2HTR1AHTR7MCL1PGR
SCHEMBL15030802 0.79 PDK2 (0.36) PDK2HTR1AHTR7MCL1PGR
SCHEMBL15030822 0.79 PGR (0.41) PDK2PGRGRM5ADAMTS5
SCHEMBL15030726 0.79 PDK2 (0.38) PDK2HTR1AHTR7MCL1PGR
SCHEMBL16186700 0.78 PDK2 (0.36) PDK2HTR1AHTR7MCL1GRM5
SCHEMBL30972504 0.78 HDAC6 (0.40) PGRADAMTS5
SCHEMBL15030784 0.78 HDAC6 (0.40) PGRADAMTS5
SCHEMBL15030778 0.77 ADAMTS5 (0.31) DRD2ADAMTS5BACE1

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 PDK2 202/4885DRD2 232/4885HTR1A 2955/4885
US-10396297-B2 Materials for electronic devices DDT, PNMT, COMT PDK2 413/4885DRD2 26/4885HTR1A 2635/4885
US-20170331053-A1 MATERIALS FOR ELECTRONIC DEVICES DDT, PNMT, COMT PDK2 413/4885DRD2 26/4885HTR1A 2635/4885

“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.