SCHEMBL21476566

SCHEMBL21476566

c1ccc(-c2ccccc2-c2cc(-c3ccc(-c4cc5ccccc5o4)cc3)nc(-c3ccc(-c4cccnc4)cc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
CYP19A1 P11511 2/20 0.42
S1PR1 P21453 1/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
TSHR P16473 1/20 0.42
MAOB P27338 2/20 0.41
DHODH Q02127 1/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PGR P06401 1/20 0.40
PTPRC P08575 1/20 0.39
PTPN1 P18031 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PIM1 P11309 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
SCHEMBL21480593 0.93 MCL1 (0.48) MCL1CYP19A1S1PR1ALDH1A1MAPT
SCHEMBL21480657 0.93 CYP19A1 (0.48) MCL1CYP19A1S1PR1ALDH1A1MAPT
SCHEMBL21476621 0.90 ALDH1A1 (0.44) MCL1CYP19A1S1PR1ALDH1A1MAPT
SCHEMBL21476827 0.89 KDM4E (0.46) MCL1CYP19A1S1PR1ALDH1A1MAPT
SCHEMBL21476558 0.89 PGR (0.49) MCL1CYP19A1S1PR1ALDH1A1MAPT
SCHEMBL23334980 0.89 MCL1 (0.52) MCL1CYP19A1ALDH1A1MAPTMAOB
SCHEMBL23334475 0.88 CYP11B2 (0.52) MCL1CYP19A1S1PR1MAOBDHODH
SCHEMBL21476417 0.87 MAOB (0.50) MCL1CYP19A1S1PR1ALDH1A1MAPT
SCHEMBL21476778 0.85 ALDH1A1 (0.44) MCL1CYP19A1S1PR1ALDH1A1MAPT
SCHEMBL21480590 0.85 MCL1 (0.46) MCL1CYP19A1ALDH1A1MAPTPOLB

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 MCL1 2599/4885CYP19A1 931/4885S1PR1 4235/4885

“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.