SCHEMBL23959650

SCHEMBL23959650

CC(C)(C)c1cc(-c2cccc(-c3cc(-c4cccc(-c5cc(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)cc(C(C)(C)C)c5)c4)ncn3)c2)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRB P28702 5/20 0.53
RXRA P19793 4/20 0.53
KIF11 P52732 1/20 0.46
KMO O15229 5/20 0.44
CNR1 P21554 1/20 0.40
DHODH Q02127 1/20 0.38
RXRG P48443 2/20 0.38
GRM5 P41594 1/20 0.37
MIF P14174 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
FAAH O00519 1/20 0.36
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL23959743 0.87 CYP1A1 (0.44) RXRBRXRAKIF11CNR1RXRG
SCHEMBL25517788 0.84 MIF (0.50) RXRBRXRAKIF11KMORXRG
SCHEMBL25911308 0.83 RXRB (0.63) RXRBRXRAKIF11CNR1DHODH
SCHEMBL23959629 0.83 RXRB (0.57) RXRBRXRAKIF11CNR1DHODH
SCHEMBL23959730 0.81 RXRB (0.51) RXRBRXRAKIF11CNR1DHODH
SCHEMBL23928340 0.79 RXRB (0.53) RXRBRXRAKIF11CNR1DHODH
SCHEMBL23959627 0.79 RXRB (0.53) RXRBRXRAKIF11CNR1DHODH
SCHEMBL23959747 0.79 RXRA (0.56) RXRBRXRAKIF11DHODHRXRG
SCHEMBL23959632 0.79 RXRB (0.51) RXRBRXRAKIF11CNR1DHODH
SCHEMBL23729372 0.79 RXRB (0.51) RXRBRXRAKIF11CNR1DHODH

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 RXRB 3264/4885RXRA 2544/4885KIF11 3007/4885

“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.