SCHEMBL12033743

SCHEMBL12033743

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(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.41
▸ TP53 P04637 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RXRA P19793 2/20 0.35
▸ RXRB P28702 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP19A1 P11511 2/20 0.34
▸ MAP3K5 Q99683 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ PTGES O14684 1/20 0.34
▸ SERPINE1 P05121 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
SCHEMBL12033588 0.97 ABCG2 (0.42) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL12033600 0.94 ABCG2 (0.40) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL12033761 0.94 ABCG2 (0.40) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL15910220 0.94 ABCG2 (0.43) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL16689529 0.93 ABCG2 (0.42) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL28679875 0.92 ABCG2 (0.44) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL29365018 0.92 ABCG2 (0.44) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL17691596 0.91 ABCG2 (0.40) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL16233999 0.91 ABCG2 (0.43) ABCG2TP53SMN1; SMN2RAB9AMEN1
SCHEMBL12093020 0.91 ABCG2 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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

“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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