SCHEMBL25539173

SCHEMBL25539173

CC1(C)c2cccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5cccc(-c6cccnc6)c5)n4)c4ccccc34)c2-c2ccc3ccccc3c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP11B1 P15538 3/20 0.37
CYP19A1 P11511 3/20 0.37
CYP11B2 P19099 2/20 0.37
CYP17A1 P05093 1/20 0.37
DHODH Q02127 1/20 0.36
KMO O15229 1/20 0.35
CYP2C9 P11712 2/20 0.35
TNF P01375 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
BACE1 P56817 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL25540257 1.00 PDK2 (0.39) PDK2KDM4EALDH1A1MAPTHPGD
SCHEMBL25540098 0.95 PDK2 (0.38) PDK2KDM4EALDH1A1MAPTHPGD
SCHEMBL25540255 0.95 PDK2 (0.41) PDK2KDM4EALDH1A1MAPTHPGD
SCHEMBL25539170 0.95 PDK2 (0.41) PDK2KDM4EALDH1A1MAPTHPGD
SCHEMBL25539168 0.95 PDK2 (0.40) PDK2KDM4EALDH1A1MAPTHPGD
SCHEMBL25539951 0.94 PDK2 (0.39) PDK2KDM4EALDH1A1MAPTHPGD
SCHEMBL25536758 0.94 PDK2 (0.38) PDK2KDM4EALDH1A1MAPTHPGD
SCHEMBL25537782 0.94 PDK2 (0.38) PDK2KDM4EALDH1A1MAPTHPGD
SCHEMBL25540095 0.92 PDK2 (0.40) PDK2KDM4EALDH1A1MAPTHPGD
SCHEMBL25540239 0.91 ALDH1A1 (0.33) PDK2KDM4EALDH1A1MAPTHPGD

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 PDK2 1828/4885KDM4E 1565/4885ALDH1A1 254/4885

“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.