SCHEMBL21157178

SCHEMBL21157178

Cc1cc(-c2ccccc2-c2nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)nc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)n2)c2c(c1)c1cc(C)cc(-c3ccccc3-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)c1n2-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CYP2C9 P11712 1/20 0.36
HTT P42858 1/20 0.36
AVPR1A P37288 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RXRA P19793 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
KMT2A Q03164 2/20 0.33
METAP2 P50579 1/20 0.33
MEN1 O00255 1/20 0.33
PSMB5 P28074 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
SCHEMBL21157903 0.93 L3MBTL1 (0.42) TSHRCYP2C9HTTAVPR1AL3MBTL1
SCHEMBL21157811 0.93 L3MBTL1 (0.42) TSHRCYP2C9HTTAVPR1AL3MBTL1
SCHEMBL21157817 0.90 AVPR1A (0.42) TSHRCYP2C9HTTAVPR1AL3MBTL1
SCHEMBL21157174 0.90 AVPR1A (0.42) TSHRCYP2C9HTTAVPR1AL3MBTL1
SCHEMBL21157910 0.90 TSHR (0.39) TSHRCYP2C9HTTAVPR1AL3MBTL1
SCHEMBL21156625 0.89 AVPR1A (0.40) TSHRCYP2C9HTTAVPR1AL3MBTL1
SCHEMBL21156636 0.89 TSHR (0.36) TSHRHTTAVPR1AL3MBTL1RXRA
SCHEMBL21156630 0.89 AVPR1A (0.40) TSHRCYP2C9HTTAVPR1AL3MBTL1
SCHEMBL21157077 0.88 AVPR1A (0.38) TSHRCYP2C9HTTAVPR1AL3MBTL1
SCHEMBL21156631 0.85 TSHR (0.39) TSHRAVPR1AL3MBTL1RXRAMAPT

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 TSHR 3560/4885CYP2C9 1420/4885HTT 1119/4885

“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.