SCHEMBL10009931

SCHEMBL10009931

CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3ccc(-c4cccs4)s3)c3ccccc13)c1ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ RET P07949 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ CTRC Q99895 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ LTA4H P09960 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL10010120 0.91 ACHE (0.40) ALDH1A1LMNAGAAKDM4EMAPT
SCHEMBL13150105 0.79 PDK2 (0.40) KDM4EMAPTACHEPDK2HDAC1
SCHEMBL10010043 0.79 ALDH1A1 (0.31) ALDH1A1HPGD
SCHEMBL358589 0.77 ACHE (0.37) LMNAGAAKDM4EMAPTACHE
SCHEMBL10010642 0.75 NQO1 (0.43) MAPK1
SCHEMBL15070070 0.74 PDK2 (0.53) DPP4ALDH1A1LMNAGAAL3MBTL1
SCHEMBL13966907 0.73 MLNR (0.31) —
SCHEMBL14096692 0.73 PDK2 (0.41) DPP4ALDH1A1LMNAGAAL3MBTL1
SCHEMBL12133829 0.72 KDM4E (0.40) ALDH1A1LMNAL3MBTL1KDM4EMAPT
SCHEMBL24285492 0.71 MEN1 (0.35) ALDH1A1GAAMAPTMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120091885-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Rohm and Haas Electronic Materials Korea Let. (KR) 2012-04-19 — — US disclosed
US-20120091885-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Rohm and Haas Electronic Materials Korea Let. (KR) 2012-04-19 — — US disclosed
WO-2010114266-A2 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOW ADVANCED DISPLAY MATERIALS,LTD. (KR) 2010-10-07 — — 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 (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-20120091885-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME OCIAD1, OCIAD2, ODC1 DPP4 3017/4885ALDH1A1 626/4885LMNA 3413/4885

“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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