SCHEMBL16639873

SCHEMBL16639873

C=C(C)C(=O)CCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 2/20 0.47
PLAAT5 Q96KN8 2/20 0.47
PLAAT2 Q9NWW9 2/20 0.47
PLAAT4 Q9UL19 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FFAR1 O14842 5/20 0.44
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
MMP12 P39900 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LTB4R2 Q9NPC1 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CNR2 P34972 3/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL13891762 0.87 MEN1 (0.47) TDP1L3MBTL1PTGESALOX5LTB4R2
SCHEMBL17321097 0.81 FFAR1 (0.59) TDP1L3MBTL1FFAR1FFAR4ALDH1A1
SCHEMBL21655106 0.80 CYP2C19 (0.47) TDP1L3MBTL1PTGESALOX5ALDH1A1
SCHEMBL15165949 0.80 MAPT (0.47) PLAAT3PLAAT5PLAAT2PLAAT4ALOX5
SCHEMBL21131437 0.80 LMNA (0.40) PLAAT3PLAAT5PLAAT2PLAAT4TDP1
SCHEMBL15910228 0.79 MMP12 (0.43) TDP1L3MBTL1PTGESALOX5MMP12
SCHEMBL9915790 0.78 L3MBTL1 (0.42) TDP1L3MBTL1KMT2ACNR2CNR1
SCHEMBL13891757 0.78 RAB9A (0.41) ALDH1A1LTB4R2MEN1KMT2A
SCHEMBL279262 0.77 FFAR1 (0.73) FFAR1PTGESALOX5MMP12FFAR4
SCHEMBL17321106 0.77 FFAR1 (0.73) FFAR1PTGESALOX5MMP12FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9502668-B2 Organic light-emitting device, and light-emitting material and compound used therefor KYULUX, INC. (JP) 2016-11-22 US disclosed
US-9502668-B2 Organic light-emitting device, and light-emitting material and compound used therefor KYULUX, INC. (JP) 2016-11-22 US disclosed
US-20150357582-A1 LIGHT EMITTING MATERIAL AND ORGANIC LIGHT EMITTING DEVICE USING SAME KYULUX, INC. (JP) 2015-12-10 US disclosed
US-20150105564-A1 ORGANIC LIGHT-EMITTING DEVICE, AND LIGHT-EMITTING MATERIAL AND COMPOUND USED THEREFOR KYULUX, INC. (JP) 2015-04-16 US disclosed
US-20150105564-A1 ORGANIC LIGHT-EMITTING DEVICE, AND LIGHT-EMITTING MATERIAL AND COMPOUND USED THEREFOR KYULUX, INC. (JP) 2015-04-16 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-20150357582-A1 LIGHT EMITTING MATERIAL AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, CRY2, INTS9 PLAAT3 4383/4885PLAAT5 3360/4885PLAAT2 4232/4885

“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.