SCHEMBL25580583

SCHEMBL25580583

c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)cc3)c3cccc4ccccc34)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
TNF P01375 1/20 0.36
SIGMAR1 Q99720 4/20 0.35
GPR84 Q9NQS5 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL25580589 1.00 CA12 (0.37) CA12CA1CA2CA9TNF
SCHEMBL25580580 0.96 CA12 (0.39) CA12CA1CA2CA9TNF
SCHEMBL29453908 0.94 CA12 (0.41) CA12CA1CA2CA9TNF
SCHEMBL16385671 0.94 CA12 (0.41) CA12CA1CA2CA9TNF
SCHEMBL25580872 0.93 MCL1 (0.36) CA12CA1CA2CA9TNF
SCHEMBL25580880 0.93 MCL1 (0.36) CA12CA1CA2CA9TNF
SCHEMBL25580248 0.93 CA12 (0.35) CA12CA1CA2CA9TNF
SCHEMBL25580239 0.93 CA12 (0.35) CA12CA1CA2CA9TNF
SCHEMBL25580117 0.93 CA12 (0.36) CA12CA1CA2CA9TNF
SCHEMBL24999707 0.93 CA12 (0.38) CA12CA1CA2CA9TNF

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.