SCHEMBL12116346

SCHEMBL12116346

Cn1c2cc(-c3cccc4ccccc34)ccc2c2cc3c(cc21)-c1ccc(-n2c4ccccc4c4ccccc42)cc1C3(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ NTSR1 P30989 1/20 0.32
▸ TUBB4A P04350 1/20 0.31
▸ TUBB P07437 1/20 0.31
▸ TUBA3C P0DPH7 1/20 0.31
▸ TUBA1B P68363 1/20 0.31
▸ TUBA4A P68366 1/20 0.31
▸ TUBB4B P68371 1/20 0.31
▸ TUBB3 Q13509 1/20 0.31
▸ TUBB2A Q13885 1/20 0.31
▸ TUBB8 Q3ZCM7 1/20 0.31
▸ TUBA3E Q6PEY2 1/20 0.31
▸ TUBA1A Q71U36 1/20 0.31
▸ TUBA1C Q9BQE3 1/20 0.31
▸ TUBB6 Q9BUF5 1/20 0.31
▸ TUBB2B Q9BVA1 1/20 0.31
▸ TUBB1 Q9H4B7 1/20 0.31
▸ PABPC1 P11940 1/20 0.31
▸ MCL1 Q07820 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
SCHEMBL12116343 0.92 KDM4E (0.37) NTSR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12116351 0.86 GPR3 (0.42) RXRARXRBPABPC1KDM4EALDH1A1
SCHEMBL12116339 0.85 RXRA (0.46) RXRARXRBPABPC1KDM4EALDH1A1
SCHEMBL2609857 0.85 KDM4E (0.40) NTSR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17209285 0.85 NTSR1 (0.35) NTSR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL23370605 0.84 CA12 (0.34) NTSR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12116266 0.84 TUBB4A (0.30) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL17209277 0.84 NTSR1 (0.35) NTSR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL23370591 0.84 ALK (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2609840 0.84 CHRNA1 (0.31) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-20110272685-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-11-10 — — US disclosed
US-20110272685-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-11-10 — — 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-20110272685-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, SLCO2A1, SLCO2B1 RXRA 4517/4885RXRB 4494/4885NTSR1 3910/4885

“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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