SCHEMBL12925600

SCHEMBL12925600

c1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccc3c2sc2c(-n4c5ccccc5c5ccccc54)cccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALOX5 P09917 1/20 0.35
▸ DUSP3 P51452 1/20 0.35
▸ LIMK1 P53667 1/20 0.33
▸ PARP14 Q460N5 1/20 0.33
▸ GPR3 P46089 1/20 0.31
▸ POLB P06746 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 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
SCHEMBL10092208 0.95 ALDH1A1 (0.41) ALDH1A1KDM4EATML3MBTL1ALOX5
SCHEMBL10092188 0.93 ALDH1A1 (0.36) ALDH1A1KDM4EATML3MBTL1ALOX5
SCHEMBL126274 0.89 ALDH1A1 (0.47) ALDH1A1KDM4EATML3MBTL1DUSP3
SCHEMBL14730153 0.89 LIMK1 (0.43) ALDH1A1KDM4EATML3MBTL1ALOX5
SCHEMBL10029292 0.87 ALOX5 (0.49) ALDH1A1KDM4EATML3MBTL1ALOX5
SCHEMBL22410584 0.86 ALOX5 (0.48) ALDH1A1KDM4EATML3MBTL1ALOX5
SCHEMBL16390500 0.83 ALOX5 (0.43) ALDH1A1KDM4EATML3MBTL1ALOX5
SCHEMBL5028204 0.83 MAOA (0.43) ALDH1A1DUSP3LIMK1CYP1A2
SCHEMBL12925790 0.83 CRHBP (0.30) —
SCHEMBL22106926 0.82 ALOX5 (0.45) ALDH1A1KDM4EATML3MBTL1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130119360-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME MERCK PATENT GMBH (DE) 2013-05-16 — — US disclosed
US-8367224-B2 Organic electroluminescence element, new compound for the same, display device and lighting device using the same KONICA MINOLTA HOLDINGS, INC. (JP) 2013-02-05 — — US disclosed
US-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-13 — — US disclosed
US-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-13 — — 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-20110006670-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME AOC2, AOC3, CDYL ALDH1A1 54/4885KDM4E 367/4885ATM 3194/4885

“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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