SCHEMBL21156632

SCHEMBL21156632

c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3-c3ccccc3-c3cc(-c4ccccc4)cc4c5cc(-c6ccccc6)cc(-c6ccccc6-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5n(-c5ccccc5)c34)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.36
TSHR P16473 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ALOX15 P16050 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
AVPR1A P37288 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RXRA P19793 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL21156631 0.96 TSHR (0.39) ABCG2TSHRADORA3ALOX15ADORA2A
SCHEMBL21156636 0.94 TSHR (0.36) ABCG2TSHRADORA3ALOX15ADORA2A
SCHEMBL21156633 0.91 AVPR1A (0.37) ABCG2TSHRAVPR1AL3MBTL1LMNA
SCHEMBL21157092 0.91 AVPR1A (0.37) ABCG2TSHRAVPR1AL3MBTL1LMNA
SCHEMBL21157918 0.90 ABCG2 (0.35) ABCG2TSHRADORA3ALOX15ADORA2A
SCHEMBL21157083 0.86 AVPR1A (0.36) TSHRADORA3ALOX15ADORA2AADORA2B
SCHEMBL21157829 0.86 AVPR1A (0.40) ABCG2TSHRADORA3ALOX15ADORA2A
SCHEMBL21156635 0.86 AVPR1A (0.40) ABCG2TSHRADORA3ALOX15ADORA2A
SCHEMBL21157825 0.85 AVPR1A (0.41) ABCG2TSHRADORA3ALOX15ADORA2A
SCHEMBL21156634 0.84 AVPR1A (0.36) TSHRADORA3ALOX15ADORA2AADORA2B

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 ABCG2 283/4885TSHR 3560/4885ADORA3 2835/4885

“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.