SCHEMBL17358869

SCHEMBL17358869

CC(C)CC1(CC(C)C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(CC(C)C)(CC(C)C)c3cc(N(c5ccccc5)c5ccc6c(c5)C(CC(C)C)(CC(C)C)c5ccccc5-6)ccc3-4)cc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 9/20 0.40
▸ ELANE P08246 1/20 0.35
▸ APEX1 P27695 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL5841679 0.85 PDK2 (0.43) PDK2ELANEAPEX1CYP1A2CYP3A4
SCHEMBL25750220 0.82 PDK2 (0.38) PDK2APEX1CYP1A2CYP3A4CYP2D6
SCHEMBL14073162 0.82 KDM4E (0.35) PDK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17678560 0.82 PDK2 (0.42) PDK2APEX1CYP1A2CYP3A4CYP2D6
SCHEMBL10018628 0.81 PDK2 (0.41) PDK2APEX1CYP1A2CYP3A4CYP2D6
SCHEMBL17680057 0.81 PDK2 (0.41) PDK2APEX1CYP1A2CYP3A4CYP2D6
SCHEMBL14073161 0.81 — —
SCHEMBL17678567 0.81 PDK2 (0.41) PDK2APEX1CYP1A2CYP3A4CYP2D6
SCHEMBL27746525 0.81 PDK2 (0.40) PDK2APEX1CYP1A2CYP3A4CYP2D6
SCHEMBL28781068 0.80 PDK2 (0.40) PDK2ELANEAPEX1CYP1A2CYP3A4

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-9911921-B2 Organic compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2018-03-06 — — US disclosed
US-9755165-B2 Silsesquioxane compound, organic light emitting element, display apparatus, image information processing apparatus, and image forming apparatus CANON KABUSHIKI KAISHA (JP) 2017-09-05 — — US disclosed
US-20160118607-A1 SILSESQUIOXANE COMPOUND, ORGANIC LIGHT EMITTING ELEMENT, DISPLAY APPARATUS, IMAGE INFORMATION PROCESSING APPARATUS, AND IMAGE FORMING APPARATUS CANON KABUSHIKI KAISHA (JP) 2016-04-28 — — US disclosed
US-20150372238-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2015-12-24 — — 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-20150372238-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE ORC3, AOC3, EML4 PDK2 2731/4885ELANE 2587/4885APEX1 1567/4885
US-20160118607-A1 SILSESQUIOXANE COMPOUND, ORGANIC LIGHT EMITTING ELEMENT, DISPLAY APPARATUS, IMAGE INFORMATION PROCESSING APPARATUS, AND IMAGE FORMING APPARATUS SFXN1, LSS, SLC7A5 PDK2 3593/4885ELANE 3358/4885APEX1 3969/4885

“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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