SCHEMBL21476673

SCHEMBL21476673

c1ccc(-c2ccc3cc(-c4cc(-c5ccc(-c6cc7ccccc7o6)cc5)nc(-c5ccccc5-c5ccccc5)n4)ccc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.46
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
PTPRC P08575 1/20 0.43
PTPN1 P18031 1/20 0.43
PGR P06401 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MAOA P21397 2/20 0.41
ALOX5 P09917 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ADRA2A P08913 1/20 0.39
NPC1 O15118 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NFKB1 P19838 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
SCHEMBL21476360 0.94 PGR (0.43) MAOBCYP1A1CYP1B1PTPRCPTPN1
SCHEMBL21476562 0.94 MAOB (0.47) MAOBPTPRCPTPN1CA1CA2
SCHEMBL21480641 0.94 MAOB (0.51) MAOBPTPRCPTPN1CA1CA2
SCHEMBL21476556 0.90 MAOB (0.50) MAOBPTPRCPTPN1CA1CA2
SCHEMBL21476407 0.89 MAOB (0.47) MAOBPTPRCPTPN1PGRCA1
SCHEMBL21476356 0.89 MEN1 (0.45) MAOBPTPRCPTPN1CA1CA2
SCHEMBL21476685 0.88 PLA2G2A (0.41) MAOBCYP1A1CYP1B1PTPRCPTPN1
SCHEMBL23334972 0.86 RAB9A (0.46) MAOBPTPRCPTPN1MAOAALOX5
SCHEMBL21476820 0.85 MAOB (0.46) MAOBCYP1A1CYP1B1PTPRCPTPN1
SCHEMBL21480635 0.85 PGR (0.43) MAOBPTPRCPTPN1PGRCA1

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 MAOB 2115/4885CYP1A1 1523/4885CYP1B1 2569/4885

“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.