SCHEMBL24156387

SCHEMBL24156387

CC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc(-c5cccc6c5C(C)(C)c5ccccc5-6)c4)c3)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 9/20 0.35
▸ ALDH1A1 P00352 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ RARB P10826 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ TLR9 Q9NR96 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
SCHEMBL24156279 1.00 PDK2 (0.35) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL22182403 0.97 PDK2 (0.36) PDK2RARBRARGRXRATDP2
SCHEMBL22182385 0.96 RARB (0.36) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL24155971 0.96 PDK2 (0.32) PDK2RARBRARGRXRA
SCHEMBL22182397 0.96 PDK2 (0.33) PDK2ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL26278995 0.95 PDK2 (0.36) PDK2TDP2
SCHEMBL26284944 0.95 PDK2 (0.36) PDK2TDP2
SCHEMBL22182398 0.94 PDK2 (0.36) PDK2TDP1RARBRARGTDP2
SCHEMBL26285596 0.94 PDK2 (0.39) PDK2PGR
SCHEMBL26279065 0.94 PDK2 (0.39) PDK2PGR

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-20210408381-A1 COMPOUND, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE LT MATERIALS CO., LTD. (KR) 2021-12-30 — — 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-20210408381-A1 COMPOUND, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OXER1, OR10J3, OR51E2 PDK2 2490/4885ALDH1A1 25/4885L3MBTL1 3507/4885

“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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