SCHEMBL15030716

SCHEMBL15030716

c1ccc(-c2ccccc2-c2ccc3c(c2)C2(c4ccccc4Oc4ccccc42)c2cc(-c4ccccc4-c4ccccc4)ccc2N3c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.33
CDK8 P49336 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
PGR P06401 1/20 0.31
PDK2 Q15119 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
RXRA P19793 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
SCHEMBL15030728 0.95 PDK2 (0.35) CDK8PDK2
SCHEMBL15030804 0.91 FAAH (0.33) PGRPDK2ADAMTS5
SCHEMBL15030791 0.91 FAAH (0.33) PGRPDK2ADAMTS5
SCHEMBL15030808 0.91 FAAH (0.33) PGRPDK2ADAMTS5
SCHEMBL15030721 0.88 FAAH (0.36) PDK2
SCHEMBL15030663 0.88 FAAH (0.36) PDK2
SCHEMBL15030674 0.88 FAAH (0.36) PDK2
SCHEMBL15030806 0.88 ADAMTS5 (0.32) PGRADAMTS5
SCHEMBL15030836 0.87 PDK2 (0.35) PDK2
SCHEMBL15030775 0.87 FAAH (0.33) PDK2ADAMTS5

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 7 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
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 GRM5 1909/4885CDK8 4121/4885ABCG2 899/4885
US-10396297-B2 Materials for electronic devices DDT, PNMT, COMT GRM5 2774/4885CDK8 4511/4885ABCG2 622/4885
US-20170331053-A1 MATERIALS FOR ELECTRONIC DEVICES DDT, PNMT, COMT GRM5 2774/4885CDK8 4511/4885ABCG2 622/4885

“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.