SCHEMBL13104704

SCHEMBL13104704

CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cc(N(c7ccccc7)c7ccccc7)cc(N(c7ccccc7)c7ccc8c(c7)-c7ccccc7C8(C)C)c6)ccc4-5)cc(N(c4ccccc4)c4ccccc4)c3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 18/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL13104697 1.00 PDK2 (0.35) PDK2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL26506150 0.95 PDK2 (0.36) PDK2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL13104634 0.95 PDK2 (0.39) PDK2
SCHEMBL17740655 0.95 PDK2 (0.39) PDK2
SCHEMBL17780792 0.94 PDK2 (0.34) PDK2
SCHEMBL13104646 0.93 PDK2 (0.40) PDK2
SCHEMBL13104705 0.93 ALDH1A1 (0.35) PDK2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL18311827 0.93 PDK2 (0.39) PDK2
SCHEMBL17180537 0.92 PDK2 (0.43) PDK2
SCHEMBL12378996 0.92 PDK2 (0.39) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807277-B2 Amine compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2010-10-05 — — US disclosed
US-7807277-B2 Amine compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2010-10-05 — — US disclosed
US-20080124573-A1 AMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2008-05-29 — — US disclosed
US-20080124573-A1 AMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2008-05-29 — — 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-20080124573-A1 AMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE AHR, HTR1D, TPH1 PDK2 3523/4885KDM4E 1834/4885ALDH1A1 139/4885

“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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