SCHEMBL21157072

SCHEMBL21157072

CC(C)(C)c1cc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc2)c2c(c1)c1cc(C(C)(C)C)cc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c1n2-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.39
RXRA P19793 4/20 0.36
RXRB P28702 4/20 0.36
RXRG P48443 3/20 0.36
LMNA P02545 1/20 0.35
CYP19A1 P11511 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DHODH Q02127 1/20 0.34
KIF11 P52732 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL21156619 0.93 KIF11 (0.39) AVPR1ARXRARXRBLMNAALDH1A1
SCHEMBL21157816 0.92 TP53 (0.38) AVPR1ARXRARXRBRXRGLMNA
SCHEMBL21157804 0.92 TP53 (0.38) AVPR1ARXRARXRBRXRGLMNA
SCHEMBL21157802 0.89 ABCG2 (0.40) AVPR1ALMNAALDH1A1MAPTMAPK1
SCHEMBL21156629 0.89 AVPR1A (0.34) AVPR1ARXRARXRBRXRGLMNA
SCHEMBL21156627 0.89 AVPR1A (0.34) AVPR1ARXRARXRBRXRGLMNA
SCHEMBL21157912 0.87 ABCG2 (0.36) RXRARXRBLMNAMAPTDHODH
SCHEMBL21157080 0.86 ABCG2 (0.37) AVPR1ARXRARXRBLMNAMAPT
SCHEMBL21157960 0.85 RXRA (0.37) RXRARXRBRXRGCYP19A1ALDH1A1
SCHEMBL21157830 0.83 AVPR1A (0.42) AVPR1ALMNAMAPTNPSR1

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-20190214577-A1 THERMALLY ACTIVATED DELAYED FLUORESCENCE MATERIAL, POLYMER, MIXTURE, FORMULATION, AND ORGANIC ELECTRONIC DEVICE GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-07-11 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-20190214577-A1 THERMALLY ACTIVATED DELAYED FLUORESCENCE MATERIAL, POLYMER, MIXTURE, FORMULATION, AND ORGANIC ELECTRONIC DEVICE TEAD2, TEAD3, TEAD1 AVPR1A 4736/4885RXRA 3879/4885RXRB 3716/4885

“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.