SCHEMBL25534296

SCHEMBL25534296

CC1(C)c2ccccc2-c2c(-c3ccc(-c4nc(-c5ccccc5)cc(-c5cccc(-c6cccnc6)c5)n4)c4ccccc34)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.41
DHODH Q02127 1/20 0.38
KMO O15229 1/20 0.38
CYP19A1 P11511 2/20 0.37
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
CYP11B1 P15538 2/20 0.36
PSD A5PKW4 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
BACE1 P56817 1/20 0.35
KCNH2 Q12809 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 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
SCHEMBL25534286 0.95 PDK2 (0.43) PDK2DHODHCYP19A1KDM4ELMNA
SCHEMBL25534076 0.93 PDK2 (0.40) PDK2DHODHKMOCYP19A1KDM4E
SCHEMBL25534256 0.90 MEN1 (0.36) PDK2KDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL25540257 0.90 PDK2 (0.39) PDK2DHODHKMOCYP19A1KDM4E
SCHEMBL25539060 0.90 PDK2 (0.39) PDK2DHODHKMOCYP19A1KDM4E
SCHEMBL25540234 0.90 PDK2 (0.39) PDK2DHODHKMOCYP19A1KDM4E
SCHEMBL25539173 0.90 PDK2 (0.39) PDK2DHODHKMOCYP19A1KDM4E
SCHEMBL25534568 0.90 PDK2 (0.45) PDK2DHODHKMOCYP19A1KDM4E
SCHEMBL25534098 0.89 PDK2 (0.42) PDK2DHODHCYP19A1KDM4ELMNA
SCHEMBL25534240 0.88 MEN1 (0.37) KDM4ELMNAPSDALDH1A1SMN1; SMN2

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-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 PDK2 1828/4885DHODH 2394/4885KMO 3772/4885

“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.