SCHEMBL25451687

SCHEMBL25451687

Cc1cc(CC(C)C)ccc1-c1cc(C)c(C(C)C)c[n+]1C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
KCNN2 Q9H2S1 2/20 0.32
KCNN3 Q9UGI6 2/20 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
SCHEMBL25451756 0.89 EDNRB (0.35) EDNRBEDNRAGABRA1GABRB2KCNN2
SCHEMBL25455910 0.87 NPC1 (0.34) KCNN2KCNN3
SCHEMBL25450662 0.87 EDNRB (0.36) EDNRBEDNRAGABRA1GABRB2
SCHEMBL26014634 0.86 EDNRB (0.36) EDNRBEDNRAGABRA1GABRB2
SCHEMBL26013432 0.83 EDNRB (0.36) EDNRBEDNRAGABRA1GABRB2
SCHEMBL26013324 0.81 EDNRA (0.38) EDNRBEDNRAGABRA1GABRB2
SCHEMBL25445901 0.81 LMNA (0.37)
SCHEMBL25450506 0.81 LMNA (0.37) EDNRBEDNRAGABRA1GABRB2
SCHEMBL25450383 0.80 EDNRB (0.36) EDNRBEDNRAGABRA1GABRB2
SCHEMBL25451685 0.80 LMNA (0.44)

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-20230240130-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-07-27 US disclosed
US-11653558-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-05-16 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-20230240130-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OSBPL3, LBR, RBM3 EDNRB 1282/4885EDNRA 1544/4885GABRA1 2970/4885
US-11653558-B2 Organic electroluminescent materials and devices OSBPL3, LBR, LOXL3 EDNRB 1202/4885EDNRA 1558/4885GABRA1 2746/4885

“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.