SCHEMBL23959676

SCHEMBL23959676

CC(C)(C)c1cc(-c2cc(-c3cccnc3)cc(-c3nc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)nc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)n3)c2)cc(C(C)(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.58
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
CYP2A6 P11509 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP19A1 P11511 3/20 0.42
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
CYP17A1 P05093 2/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL23928358 0.96 KIF11 (0.54) KIF11KDM4EMAPTGAACYP2A6
SCHEMBL29989146 0.96 KIF11 (0.54) KIF11KDM4EMAPTGAACYP2A6
SCHEMBL23959721 0.93 KIF11 (0.59) KIF11KDM4EMAPTGAACYP2A6
SCHEMBL29988549 0.92 KIF11 (0.66) KIF11CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL29988950 0.92 KIF11 (0.57) KIF11KDM4EMAPTCYP2A6ALDH1A1
SCHEMBL23928351 0.92 KIF11 (0.57) KIF11KDM4EMAPTCYP2A6ALDH1A1
SCHEMBL23928360 0.92 KIF11 (0.66) KIF11CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL13179001 0.90 KIF11 (0.70) KIF11KDM4EMAPTCYP2A6ALDH1A1
SCHEMBL23959755 0.88 KIF11 (0.56) KIF11KDM4EMAPTCYP2A6ALDH1A1
SCHEMBL23928359 0.85 KIF11 (0.69) KIF11CYP2A6ALDH1A1CYP1A2CYP3A4

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-20210336151-A1 Light-Emitting Device Material, Electron-Transport Layer Material, Organic Compound, Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2021-10-28 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-20210336151-A1 Light-Emitting Device Material, Electron-Transport Layer Material, Organic Compound, Light-Emitting Device, Light-Emitting Apparatus, Electronic Device, and Lighting Device SPIN3, SLC39A3, SKIC3 KIF11 3007/4885KDM4E 4238/4885MAPT 1456/4885

“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.