SCHEMBL21089299

SCHEMBL21089299

Oc1ccccc1-c1nc2c(-c3ccccc3)cc(-c3cccc(-c4ccccc4)c3)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
BCL2L1 Q07817 1/20 0.41
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RET P07949 1/20 0.39

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
SCHEMBL21089671 0.97 RAB9A (0.40) HSD17B1HSD17B2PDCD1CD274HSD17B10
SCHEMBL21089195 0.89 HSD17B1 (0.40) HSD17B1HSD17B2PDCD1CD274HSD17B10
SCHEMBL21089318 0.89 ALOX5 (0.45) HSD17B1HSD17B2PDCD1CD274HSD17B10
SCHEMBL21089485 0.87 PDCD1 (0.43) PDCD1CD274HSD17B10HPGDALDH1A1
SCHEMBL21089193 0.87 ESR2 (0.41) PDCD1CD274HSD17B10HPGDALDH1A1
SCHEMBL21089498 0.86 HSD17B1 (0.42) HSD17B1HSD17B2PDCD1CD274HSD17B10
SCHEMBL21089455 0.86 ABCB1 (0.39) PDCD1CD274HSD17B10HPGDALDH1A1
SCHEMBL21089302 0.84 ALDH1A1 (0.48) PDCD1CD274HSD17B10HPGDALDH1A1
SCHEMBL21089196 0.83 RET (0.49) PDCD1CD274HSD17B10HPGDALDH1A1
SCHEMBL21089475 0.82 ALDH1A1 (0.48) PDCD1CD274HSD17B10HPGDALDH1A1

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 HSD17B1 3346/4885HSD17B2 3837/4885PDCD1 1149/4885
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, L1CAM, CHRM4 HSD17B1 3346/4885HSD17B2 3837/4885PDCD1 1149/4885

“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.