SCHEMBL25536758

SCHEMBL25536758

CC1(C)c2cccc(-c3ccc(-c4cc(-c5cccc(-c6cccnc6)c5)nc(-c5ccccc5)n4)c4ccccc34)c2-c2ccc3ccccc3c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP11B1 P15538 2/20 0.36
CYP19A1 P11511 2/20 0.36
CYP17A1 P05093 1/20 0.36
CYP11B2 P19099 1/20 0.36
CYP2C9 P11712 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 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
SCHEMBL25537782 1.00 PDK2 (0.38) PDK2ALDH1A1KDM4EMAPTHPGD
SCHEMBL25537571 0.95 PDK2 (0.37) PDK2ALDH1A1KDM4EMAPTHPGD
SCHEMBL25536752 0.95 PDK2 (0.39) PDK2ALDH1A1KDM4EMAPTHPGD
SCHEMBL25537416 0.95 PDK2 (0.39) PDK2ALDH1A1KDM4EMAPTHPGD
SCHEMBL25537780 0.94 PDK2 (0.40) PDK2ALDH1A1KDM4EMAPTHPGD
SCHEMBL25536756 0.94 PDK2 (0.40) PDK2ALDH1A1KDM4EMAPTHPGD
SCHEMBL25539173 0.94 PDK2 (0.39) PDK2ALDH1A1KDM4EMAPTHPGD
SCHEMBL25540257 0.94 PDK2 (0.39) PDK2ALDH1A1KDM4EMAPTHPGD
SCHEMBL22038973 0.92 PDK2 (0.39) PDK2ALDH1A1KDM4EMAPTHPGD
SCHEMBL22038095 0.92 PDK2 (0.39) PDK2ALDH1A1KDM4EMAPTHPGD

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 1828/4885ALDH1A1 254/4885KDM4E 1565/4885

“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.