SCHEMBL12316601

SCHEMBL12316601

Cc1cc(C)cc(N(c2ccccc2)c2ccc(CP(=O)(CC=O)CC=O)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.37
HPGD P15428 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP2C19 P33261 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
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
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
APP P05067 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TACR1 P25103 1/20 0.32
HTT P42858 2/20 0.31
FAAH O00519 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
SCHEMBL12267967 0.83 TSPO (0.40) TSPOHPGDALDH1A1CYP2C19L3MBTL1
SCHEMBL10072034 0.75 HPGD (0.57) HPGDCYP2C19CYP3A4MEN1KMT2A
SCHEMBL9163755 0.75 ALDH1A1 (0.56) TSPOALDH1A1CYP2C19L3MBTL1KDM4E
SCHEMBL10066020 0.75 ALDH1A1 (0.56) TSPOALDH1A1CYP2C19L3MBTL1KDM4E
SCHEMBL9158964 0.75 ALDH1A1 (0.56) TSPOALDH1A1CYP2C19L3MBTL1KDM4E
SCHEMBL9174169 0.75 ALDH1A1 (0.56) TSPOALDH1A1CYP2C19L3MBTL1KDM4E
SCHEMBL15306317 0.73 ALDH1A1 (0.52) TSPOALDH1A1CYP2C19L3MBTL1KDM4E
SCHEMBL5604869 0.73 ALDH1A1 (0.52) TSPOALDH1A1CYP2C19L3MBTL1KDM4E
SCHEMBL12267968 0.73 ALDH1A1 (0.43) TSPOALDH1A1CYP2C19L3MBTL1KDM4E
SCHEMBL20059552 0.72 ALDH1A1 (0.52) TSPOHPGDALDH1A1CYP2C19L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110233534-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-09-29 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-20110233534-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING THE SAME AR, EML4, NAP1L4 TSPO 2718/4885HPGD 4795/4885ALDH1A1 911/4885

“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.