SCHEMBL25952642

SCHEMBL25952642

CC(C)(C)c1ccc(Cc2coc3c2C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ KCNH2 Q12809 1/20 0.33
▸ MPO P05164 1/20 0.32
▸ SLC5A1 P13866 1/20 0.31
▸ SLC5A2 P31639 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL24689235 0.74 RXRA (0.38) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL23446347 0.72 KDM4E (0.34) —
SCHEMBL348623 0.65 TSHR (0.52) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL24701725 0.63 — —
SCHEMBL3452699 0.62 CALM1 (0.57) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL23445064 0.61 — —
SCHEMBL11437755 0.60 ACHE (0.44) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL10767432 0.59 KCNH2 (0.40) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL6547963 0.58 TSHR (0.71) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL9428929 0.58 SIGMAR1 (0.46) ADRA2AADRA2BADRA2CADRA1DHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685751-B2 Compound and organic light-emitting element comprising same LG CHEM, LTD. (KR) 2023-06-27 — — US disclosed
US-11685751-B2 Compound and organic light-emitting element comprising same LG CHEM, LTD. (KR) 2023-06-27 — — 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-11685751-B2 Compound and organic light-emitting element comprising same CRY1, CRY2, LEF1 ADRA2A 3625/4885ADRA2B 4055/4885ADRA2C 4094/4885

“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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