SCHEMBL21476827

SCHEMBL21476827

c1cncc(-c2ccc(-c3nc(-c4ccc(-c5cc6ccccc6o5)cc4)cc(-c4ccc(-c5cccc6ccccc56)cc4)n3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
MCL1 Q07820 1/20 0.42
DHODH Q02127 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
PRKDC P78527 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1B1 Q16678 1/20 0.41
PGR P06401 1/20 0.41
MAOB P27338 2/20 0.40
TNF P01375 1/20 0.40
CYP11B1 P15538 2/20 0.39
S1PR1 P21453 1/20 0.39
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL21480590 0.96 MCL1 (0.46) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL21476644 0.95 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL21476774 0.90 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL21476566 0.89 MCL1 (0.43) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL21480657 0.89 CYP19A1 (0.48) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL29776775 0.88 ALDH1A1 (0.53) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL18725553 0.88 ALDH1A1 (0.53) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL29989130 0.88 ALDH1A1 (0.53) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL21476558 0.87 PGR (0.49) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL19637994 0.87 TNF (0.52) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130336-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2021-05-06 US disclosed
WO-2019198806-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2019-10-17 WO 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-20210130336-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, MLX, LEF1 KDM4E 3458/4885SMN1; SMN2 598/4885ALDH1A1 1240/4885

“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.