SCHEMBL9971871

SCHEMBL9971871

c1ccc(-c2cccc(N(c3cccc(-c4ccccc4)c3)c3c4ccccc4c(N(c4ccccc4)c4ccccc4)c4ccccc34)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.39
MAOA P21397 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMO O15229 1/20 0.34
ACMSD Q8TDX5 2/20 0.34
JAK2 O60674 2/20 0.33
ALOX5 P09917 1/20 0.33
NISCH Q9Y2I1 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
SCHEMBL9971939 1.00 MGLL (0.39) MGLLMAOAHDAC4HDAC2HDAC8
SCHEMBL9971869 0.98 MGLL (0.41) MGLLMAOAHDAC4HDAC2HDAC8
SCHEMBL19817603 0.93 ALDH1A1 (0.38) MGLLMAOAHDAC4HDAC2HDAC8
SCHEMBL14446783 0.92 MGLL (0.37) MGLLMAOAHDAC4HDAC2HDAC8
SCHEMBL20403905 0.91 MGLL (0.34) MGLLMAOAHDAC4HDAC2HDAC8
SCHEMBL13511249 0.90 CYP2C19 (0.35) MGLLALDH1A1KDM4EMAPTCYP2C19
SCHEMBL16305280 0.90 CETP (0.37) MGLLHTR1AHTR7
SCHEMBL14867176 0.89 JAK2 (0.39) MGLLMAOAHDAC4HDAC2HDAC8
SCHEMBL14867160 0.88 ALDH1A1 (0.36) MGLLALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL9971948 0.88 ALDH1A1 (0.35) MGLLMAOAHDAC4HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2011-07-21 US disclosed
US-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2011-07-21 US disclosed
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-06-24 US disclosed
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-06-24 US disclosed
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD (JP) 2007-06-21 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 (4 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-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 MGLL 3499/4885MAOA 1500/4885HDAC4 1409/4885
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 MGLL 3499/4885MAOA 1500/4885HDAC4 1409/4885
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE ARL1, RIF1, EML4 MGLL 3707/4885MAOA 1025/4885HDAC4 2414/4885
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 MGLL 3499/4885MAOA 1500/4885HDAC4 1409/4885

“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.