SCHEMBL21157066

SCHEMBL21157066

CC(C)(C)c1cc(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2oc3c(-c4ccccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(C(C)(C)C)cc3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.40
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ADORA3 P0DMS8 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
TP53 P04637 3/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL21156615 1.00 ABCG2 (0.40) ABCG2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL21157785 0.86 ABCG2 (0.41) ABCG2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL21157808 0.82 ALDH1A1 (0.36) NPC1RAB9AL3MBTL1RXRARXRB
SCHEMBL21157073 0.82 ALDH1A1 (0.36) NPC1RAB9AL3MBTL1RXRARXRB
SCHEMBL21157067 0.82 NUDT1 (0.43) ABCG2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL21156614 0.82 NUDT1 (0.43) ABCG2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL21157059 0.81 ABCG2 (0.40) ABCG2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL21157226 0.81 ABCG2 (0.40) ABCG2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL21157167 0.81 ABCG2 (0.40) ABCG2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL21157224 0.80 ABCG2 (0.40) ABCG2NPC1RAB9ASMN1; SMN2MEN1

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 283/4885NPC1 4818/4885RAB9A 665/4885

“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.