SCHEMBL25112779

SCHEMBL25112779

c1cc2ccc3cccc4c5cc(-c6ccc7cc(-c8ccncc8)ccc7c6)cc6ccc7cccc(c(c1)c2c34)c7c65

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
AHR P35869 1/20 0.43
MAPK9 P45984 3/20 0.43
MAPK10 P53779 3/20 0.43
MAPK8 P45983 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
THRB P10828 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
CYP17A1 P05093 3/20 0.40
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
CYP19A1 P11511 2/20 0.40
KDM4E B2RXH2 3/20 0.40

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
SCHEMBL25112806 1.00 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL25112818 0.85 CYP11B2 (0.62) CYP1A2HSD17B1HSD17B2CYP17A1CYP11B1
SCHEMBL20228643 0.84 CYP1A2 (0.49) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL25112884 0.82 PDGFRB (0.45) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL25112827 0.81 KDM4E (0.44) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL25112848 0.81 SIRT2 (0.44) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL25112778 0.80 POLB (0.62) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL25112862 0.80 KDM4E (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL1714486 0.79 HSD17B1 (0.50) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL25112801 0.79 CYP1A2 (0.42) CYP1A2ERBB2FYNMAOAACHE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230085328-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-03-16 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-20230085328-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, PIEZO1, LEF1 CYP1A2 1265/4885ERBB2 3766/4885FYN 2545/4885

“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.