SCHEMBL12367273

SCHEMBL12367273

Cn1c2ccc3c(c2c2c4c(ccc21)CCCC4)CCCC3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
CES1 P23141 4/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 2/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
TRIM24 O15164 1/20 0.33
BRD1 O95696 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
SCHEMBL25058947 0.96 KDM4E (0.36) ALOX5PTGS1PTGS2BCL2L1BAD
SCHEMBL12367276 0.84 GPR3 (0.47) ALOX5PTGS1PTGS2ALDH1A1HTT
SCHEMBL1278375 0.71 BCL2L1 (0.52) BCL2L1BADCES1NOS3NOS1
SCHEMBL9461283 0.69 BCL2L1 (0.50) BCL2L1BADCES1NOS3NOS1
SCHEMBL19332411 0.67 ALOX5 (0.44) ALOX5PTGS1PTGS2ALDH1A1TSHR
SCHEMBL23944932 0.66 PARP1 (0.46) BCL2L1BADCES1NOS3NOS1
SCHEMBL20112700 0.64 CES1 (0.52) BCL2L1BADCES1NOS3NOS1
SCHEMBL599446 0.64 CES1 (0.43) BCL2L1BADCES1NOS3NOS1
SCHEMBL13937578 0.63 NQO1 (0.37) BCL2L1BADCES1NOS3NOS1
SCHEMBL7440864 0.63 NOS3 (0.35) BCL2L1BADCES1NOS3NOS1

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-9139522-B2 Aromatic amine derivative and organic electroluminescent device using the same MITSUI CHEMICALS, INC. (JP) 2015-09-22 US disclosed
US-9139522-B2 Aromatic amine derivative and organic electroluminescent device using the same MITSUI CHEMICALS, INC. (JP) 2015-09-22 US disclosed
US-20110198581-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME MITSUI CHEMICALS, INC. (JP) 2011-08-18 US disclosed
US-20110198581-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME MITSUI CHEMICALS, INC. (JP) 2011-08-18 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-20110198581-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME AOC2, NAT1, ALKBH1 ALOX5 1294/4885PTGS1 3674/4885PTGS2 3107/4885

“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.