SCHEMBL15030835

SCHEMBL15030835

Cc1ccccc1-c1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(-c3ccccc3C)ccc1N2c1ccc(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.37
BACE1 P56817 2/20 0.36
CTSD P07339 1/20 0.36
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
TYMS P04818 1/20 0.33
GRIA1 P42261 1/20 0.32
CACNG8 Q8WXS5 1/20 0.32
MCL1 Q07820 1/20 0.32
HTR1A P08908 1/20 0.30
HTR7 P34969 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
SCHEMBL15030836 0.92 PDK2 (0.35) PDK2BACE1
SCHEMBL15030726 0.90 PDK2 (0.38) PDK2BACE1CTSDENPP3ENPP1
SCHEMBL15030672 0.85 HTR7 (0.40) PDK2BACE1CTSDENPP3ENPP1
SCHEMBL15030719 0.84 HTR1A (0.36) PDK2BACE1CTSDENPP3ENPP1
SCHEMBL16186701 0.84 BACE1 (0.39) PDK2BACE1CTSDENPP3ENPP1
SCHEMBL15030828 0.83 CTSD (0.35) PDK2BACE1CTSDENPP3ENPP1
SCHEMBL15030728 0.82 PDK2 (0.35) PDK2BACE1
SCHEMBL15030823 0.81 PDK2 (0.36) PDK2BACE1CTSDENPP3ENPP1
SCHEMBL16186699 0.80 CTSD (0.41) PDK2BACE1CTSDENPP3ENPP1
SCHEMBL16186697 0.80 BACE1 (0.33) PDK2BACE1

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 202/4885BACE1 4585/4885CTSD 1951/4885
US-10396297-B2 Materials for electronic devices DDT, PNMT, COMT PDK2 413/4885BACE1 1866/4885CTSD 259/4885
US-20170331053-A1 MATERIALS FOR ELECTRONIC DEVICES DDT, PNMT, COMT PDK2 413/4885BACE1 1866/4885CTSD 259/4885

“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.