SCHEMBL12033588

SCHEMBL12033588

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.42
▸ TP53 P04637 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GBA1 P04062 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ RXRA P19793 1/20 0.34
▸ DNMT1 P26358 3/20 0.34
▸ PGR P06401 1/20 0.34
▸ RORA P35398 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ RORB Q92753 1/20 0.34
▸ RAC2 P15153 1/20 0.34
▸ RAC3 P60763 1/20 0.34
▸ CDC42 P60953 1/20 0.34
▸ RAC1 P63000 1/20 0.34

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
SCHEMBL12033743 0.97 ABCG2 (0.41) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL16233999 0.94 ABCG2 (0.43) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL12093020 0.94 ABCG2 (0.40) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL15910220 0.93 ABCG2 (0.43) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL12033600 0.91 ABCG2 (0.40) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL12033761 0.91 ABCG2 (0.40) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL24414191 0.91 ABCG2 (0.42) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL32675509 0.91 ABCG2 (0.42) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL32675502 0.91 ABCG2 (0.41) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL22065079 0.91 ABCG2 (0.45) ABCG2TP53SMN1; SMN2RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334260-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2016-05-10 — — US disclosed
US-9334260-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2016-05-10 — — US disclosed
US-20120223276-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-09-06 — — US disclosed
US-20120223276-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-09-06 — — US disclosed
US-20110309345-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE HAVING THE SAME E-RAY OPTOELECTRONICS TECHNOLOGY CO., LTD. (TW) 2011-12-22 — — US disclosed
US-20110309345-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE HAVING THE SAME E-RAY OPTOELECTRONICS TECHNOLOGY CO., LTD. (TW) 2011-12-22 — — US 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 (2 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-20110309345-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE HAVING THE SAME ARL1, MCOLN2, NAT1 ABCG2 2905/4885TP53 4358/4885SMN1; SMN2 4172/4885
US-20120223276-A1 MATERIALS FOR ELECTRONIC DEVICES ERCC1, XPOT, EMD ABCG2 2047/4885TP53 4474/4885SMN1; SMN2 2190/4885

“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.

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