SCHEMBL23959760

SCHEMBL23959760

CC(C)(C)c1cc(-c2cncc(-c3cc(-c4cc(C5CCCCC5)cc(C5CCCCC5)c4)cc(C(C)(C)C)c3)c2)cc(-c2cc(C3CCCCC3)cc(C3CCCCC3)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.37
CYP2C9 P11712 3/20 0.35
CYP3A4 P08684 1/20 0.35
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
NOTUM Q6P988 1/20 0.31
PSMB5 P28074 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
GPR55 Q9Y2T6 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 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
SCHEMBL23959737 0.85 CYP3A4 (0.36) CYP11B2CYP2C9CYP3A4PSMB5FPR2
SCHEMBL23959742 0.82 CYP11B2 (0.40) CYP11B2CYP1A1CYP1B1PSMB5PDGFRB
SCHEMBL23959637 0.77 KDM4E (0.45) CYP1A1CYP1B1KDM4EGAAMAPT
SCHEMBL23959653 0.77 KDM4E (0.45) CYP1A1CYP1B1KDM4EGAAMAPT
SCHEMBL23959634 0.77 KDM4E (0.45) CYP1A1CYP1B1KDM4EGAAMAPT
SCHEMBL23959765 0.76 KMO (0.40) CYP11B2CYP2C9CYP3A4NOTUMKDM4E
SCHEMBL23959688 0.76 TDP1 (0.42) CYP2C9CYP3A4
SCHEMBL23959764 0.74 RXRA (0.40) CYP2C9CYP3A4KDM4EGAAMAPT
SCHEMBL23959689 0.74 CYP3A4 (0.39) CYP2C9CYP3A4NOTUMKDM4EGAA
SCHEMBL24770344 0.71 CYP11B2 (0.38) CYP11B2PSMB5PDGFRBPDGFRAMAPT

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 CYP11B2 2656/4885CYP2C9 1781/4885CYP3A4 440/4885

“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.