SCHEMBL21064487

SCHEMBL21064487

CCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cccc(I)c1-c1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 11/20 0.47
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ KIF11 P52732 1/20 0.31
▸ SIGMAR1 Q99720 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL23655327 0.84 PDK2 (0.61) PDK2MAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL19172293 0.82 KDM4E (0.38) PDK2MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL21064480 0.80 PDK2 (0.48) PDK2MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL18392094 0.77 KDM4E (0.39) PDK2MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL19092436 0.77 PDK2 (0.54) PDK2MAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL29683736 0.75 PDK2 (0.51) PDK2MAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL24406592 0.74 PDK2 (0.51) PDK2MAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL21064459 0.74 PDK2 (0.44) PDK2MAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL19494816 0.73 PDK2 (0.46) PDK2MAPTSMN1; SMN2L3MBTL1NPC1
SCHEMBL12559993 0.72 PDK2 (0.49) PDK2MAPTSMN1; SMN2L3MBTL1NPC1

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-10312459-B2 Compound and organic electronic device using the same NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2019-06-04 — — 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-10312459-B2 Compound and organic electronic device using the same OR51E2, OR10J3, ESR1 PDK2 1279/4885MAPT 3328/4885SMN1; SMN2 3947/4885

“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.

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