SCHEMBL23224739

SCHEMBL23224739

c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc(-c5ccc6ccccc6c5)c4)cc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
MCL1 Q07820 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
PPARG P37231 7/20 0.39
PPARA Q07869 7/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PPARD Q03181 1/20 0.39
PIM1 P11309 2/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37

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
SCHEMBL24919037 1.00 CA12 (0.46) CA12CA1CA2CA9MCL1
SCHEMBL24918515 0.99 CA12 (0.45) CA12CA1CA2CA9MCL1
SCHEMBL24919000 0.99 CA12 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL23224396 0.99 CA12 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL23224400 0.99 CA12 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL23224728 0.99 CA12 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL24816059 0.99 CA12 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL24919009 0.97 CA12 (0.44) CA12CA1CA2CA9MCL1
SCHEMBL24814644 0.97 MCL1 (0.44) CA12CA1CA2CA9MCL1
SCHEMBL24918508 0.97 CA12 (0.45) CA12CA1CA2CA9MCL1

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-20230024273-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-01-26 US disclosed
WO-2021070965-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2021-04-15 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-20230024273-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, L1CAM, PIEZO1 CA12 2001/4885CA1 1569/4885CA2 3251/4885

“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.