SCHEMBL17701448

SCHEMBL17701448

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cccc5c4sc4ncccc45)c3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ LIMK1 P53667 3/20 0.36
▸ CLK1 P49759 3/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ CDC7 O00311 2/20 0.33
▸ DBF4 Q9UBU7 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ APP P05067 1/20 0.32
▸ ACVR1 Q04771 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ EGFR P00533 1/20 0.31
▸ TLR5 O60602 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL24056098 0.96 LIMK1 (0.38) ALDH1A1ALOX5LIMK1CLK1TDO2
SCHEMBL17701415 0.95 ALDH1A1 (0.37) ALDH1A1ALOX5LIMK1CLK1TDO2
SCHEMBL17701402 0.94 ALOX5 (0.38) ALDH1A1ALOX5LIMK1CLK1TDO2
SCHEMBL24057825 0.94 LIMK1 (0.40) ALDH1A1ALOX5LIMK1CLK1TDO2
SCHEMBL24055853 0.93 LIMK1 (0.41) ALDH1A1ALOX5LIMK1CLK1TDO2
SCHEMBL24056284 0.87 TNF (0.38) ALDH1A1LIMK1CLK1PIK3CAHPGD
SCHEMBL24057694 0.87 ALOX5 (0.40) ALDH1A1ALOX5LIMK1CLK1PIK3CA
SCHEMBL24055547 0.86 CYP17A1 (0.36) ALDH1A1ALOX5LIMK1CLK1PIK3CA
SCHEMBL25714736 0.85 LIMK1 (0.35) ALDH1A1ALOX5LIMK1CLK1PIK3CA
SCHEMBL17702947 0.85 ALOX5 (0.43) ALDH1A1ALOX5LIMK1TDO2HPGD

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-20160118594-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-28 — — US disclosed
US-20160118594-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-28 — — 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-20160118594-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME L1CAM, DNMT1, DNMT3L ALDH1A1 200/4885ALOX5 1601/4885LIMK1 609/4885

“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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