SCHEMBL20066941

SCHEMBL20066941

CC(C)(C)C1(C2(C(C)(C)C)c3cc(N(c4ccccc4)c4ccccc4)cnc3-c3ncc(N(c4ccccc4)c4ccccc4)cc32)c2cc(N(c3ccccc3)c3ccccc3)cnc2-c2ncc(N(c3ccccc3)c3ccccc3)cc21

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 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
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PDK2 Q15119 1/20 0.30

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
SCHEMBL20066661 0.92 CYP1A2 (0.33) CYP1A2CYP2C19PDK2
SCHEMBL20066943 0.84 — —
SCHEMBL20077335 0.82 ALDH1A1 (0.34) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL20066886 0.76 PDK2 (0.42) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL20066660 0.75 CYP1A2 (0.35) CYP1A2CYP2C19PDK2
SCHEMBL20066558 0.72 PDK2 (0.46) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL20066662 0.71 CYP1A2 (0.32) CYP1A2CYP2C19PDK2
SCHEMBL20850442 0.69 — —
SCHEMBL30690404 0.68 ALDH1A1 (0.41) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17227644 0.68 CYP1A2 (0.33) KDM4ECYP1A2CYP2C19PDK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10907093-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2021-02-02 — — US disclosed
US-20180105741-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-04-19 — — US disclosed
US-20180105741-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-04-19 — — 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 (2 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-20180105741-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME C1S, SCO2, CCND2 KDM4E 3947/4885ALDH1A1 1274/4885CYP1A2 442/4885
US-10907093-B2 Condensed cyclic compound and organic light-emitting device including the same C1S, SCO2, CCND2 KDM4E 3947/4885ALDH1A1 1274/4885CYP1A2 442/4885

“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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