SCHEMBL25580908

SCHEMBL25580908

c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4cccc5ccccc45)c3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
MCL1 Q07820 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
PPARG P37231 7/20 0.36
PPARA Q07869 7/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARD Q03181 1/20 0.35
PIM1 P11309 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35

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
SCHEMBL25580622 1.00 CA12 (0.41) CA12CA1CA2CA9MCL1
SCHEMBL25580894 1.00 CA12 (0.41) CA12CA1CA2CA9MCL1
SCHEMBL25580767 0.99 MCL1 (0.40) CA12CA1CA2CA9MCL1
SCHEMBL25581026 0.99 MCL1 (0.40) CA12CA1CA2CA9MCL1
SCHEMBL25580758 0.98 CA12 (0.40) CA12CA1CA2CA9MCL1
SCHEMBL25581034 0.96 MCL1 (0.42) CA12CA1CA2CA9MCL1
SCHEMBL25580673 0.95 MCL1 (0.41) CA12CA1CA2CA9MCL1
SCHEMBL25580942 0.95 MCL1 (0.41) CA12CA1CA2CA9MCL1
SCHEMBL25580612 0.95 CA12 (0.45) CA12CA1CA2CA9MCL1
SCHEMBL24816503 0.95 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-20230180597-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-08 US disclosed
US-20230180597-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-08 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-20230180597-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE ESR1, L1CAM, ESR2 CA12 3422/4885CA1 2802/4885CA2 2994/4885

“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.