SCHEMBL9971979

SCHEMBL9971979

c1ccc(N(c2ccccc2)c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c5ccccc45)c3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACHE P22303 3/20 0.37
ESR1 P03372 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
APP P05067 1/20 0.36
MGLL Q99685 1/20 0.36
MAOA P21397 1/20 0.35
KMO O15229 1/20 0.35
ESR2 Q92731 3/20 0.35
ACMSD Q8TDX5 1/20 0.35

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
SCHEMBL10063893 1.00 ALDH1A1 (0.39) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL10063916 1.00 ALDH1A1 (0.39) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL19564402 0.98 ACHE (0.38) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL5948269 0.98 ALDH1A1 (0.41) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL9971797 0.98 ALDH1A1 (0.41) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL5948043 0.97 CYP1A2 (0.37) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL5948032 0.96 L3MBTL1 (0.42) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL9963814 0.93 CYP1A2 (0.37) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL20089858 0.93 ESR1 (0.36) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL5948298 0.93 MGLL (0.36) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6

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 ALDH1A1 2388/4885L3MBTL1 539/4885CYP1A2 919/4885
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 ALDH1A1 2388/4885L3MBTL1 539/4885CYP1A2 919/4885
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE ARL1, RIF1, EML4 ALDH1A1 699/4885L3MBTL1 1098/4885CYP1A2 1066/4885
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 ALDH1A1 2388/4885L3MBTL1 539/4885CYP1A2 919/4885

“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.