SCHEMBL21089485

SCHEMBL21089485

Cc1cc(C)cc(-c2cc(-c3ccccc3)c3nc(-c4ccccc4O)sc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.43
CD274 Q9NZQ7 2/20 0.43
HTR2B P41595 1/20 0.41
HSD17B10 Q99714 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
BCL2L1 Q07817 1/20 0.39
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
NPC1 O15118 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL21089299 0.87 HSD17B1 (0.42) PDCD1CD274HTR2BHSD17B10HPGD
SCHEMBL21089486 0.86 ALDH1A1 (0.47) PDCD1CD274HSD17B10HPGDALDH1A1
SCHEMBL21089675 0.86 PDCD1 (0.44) PDCD1CD274HTR2BHSD17B10HPGD
SCHEMBL21089488 0.85 HTR2B (0.41) PDCD1CD274HTR2BHSD17B10RAB9A
SCHEMBL21089671 0.85 RAB9A (0.40) PDCD1CD274HTR2BHSD17B10HPGD
SCHEMBL21089318 0.84 ALOX5 (0.45) PDCD1CD274HSD17B10HPGDALDH1A1
SCHEMBL21089498 0.81 HSD17B1 (0.42) PDCD1CD274HTR2BHSD17B10HPGD
SCHEMBL21089455 0.81 ABCB1 (0.39) PDCD1CD274HSD17B10HPGDALDH1A1
SCHEMBL21089196 0.78 RET (0.49) PDCD1CD274HTR2BHSD17B10HPGD
SCHEMBL21089388 0.75 HTR2B (0.44) HTR2BHSD17B10HPGDRAB9ASMN1; SMN2

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-11569461-B2 Organic electroluminescence device and organometallic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-31 US disclosed
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LAPTO CO., LTD. (KR) 2019-06-13 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-11569461-B2 Organic electroluminescence device and organometallic compound for organic electroluminescence device CHRM1, L1CAM, CHRM4 PDCD1 1149/4885CD274 119/4885HTR2B 3075/4885
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, L1CAM, CHRM4 PDCD1 1149/4885CD274 119/4885HTR2B 3075/4885

“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.