SCHEMBL25533869

SCHEMBL25533869

CC1(C)c2ccccc2-c2cc(-c3ccc(-c4ccc(-c5cc(-c6cccc7ccccc67)nc(-c6ccccc6)n5)c5ccccc45)cc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL25537980 0.97 CA12 (0.38) CA12CA1CA2CA9ENPP3
SCHEMBL25533927 0.97 ALDH1A1 (0.37) CA12CA1CA2CA9ENPP3
SCHEMBL25533789 0.97 ALDH1A1 (0.39) CA12CA1CA2CA9ENPP3
SCHEMBL25537979 0.96 MEN1 (0.38) CA12CA1CA2CA9ENPP3
SCHEMBL25534028 0.96 ALDH1A1 (0.36) CA12CA1CA2CA9ENPP3
SCHEMBL25533914 0.95 ALDH1A1 (0.38) CA12CA1CA2CA9ENPP3
SCHEMBL25533555 0.95 CA12 (0.41) CA12CA1CA2CA9ENPP3
SCHEMBL25533775 0.95 ALDH1A1 (0.39) CA12CA1CA2CA9ENPP3
SCHEMBL25533946 0.95 MEN1 (0.39) CA12CA1CA2CA9ENPP3
SCHEMBL25533819 0.94 MEN1 (0.41) CA12CA1CA2CA9ENPP3

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-20230167072-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-01 US disclosed
US-20230167072-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-01 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-20230167072-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE PIEZO1, LEF1, L1CAM CA12 1965/4885CA1 1606/4885CA2 3052/4885

“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.