SCHEMBL21089671

SCHEMBL21089671

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 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
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
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
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 1/20 0.38
BCL2L1 Q07817 1/20 0.38
PIK3CA P42336 1/20 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 0.97 HSD17B1 (0.42) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL21089195 0.89 HSD17B1 (0.40) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL21089193 0.87 ESR2 (0.41) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL21089318 0.86 ALOX5 (0.45) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL21089485 0.85 PDCD1 (0.43) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL21089475 0.84 ALDH1A1 (0.48) RAB9ASMN1; SMN2PDCD1CD274L3MBTL1
SCHEMBL21089498 0.84 HSD17B1 (0.42) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL21089455 0.83 ABCB1 (0.39) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL21089302 0.82 ALDH1A1 (0.48) RAB9ASMN1; SMN2PDCD1CD274L3MBTL1
SCHEMBL21089196 0.80 RET (0.49) RAB9ASMN1; SMN2CASP3SENP8SENP7

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 RAB9A 1899/4885SMN1; SMN2 2913/4885CASP3 2920/4885
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, L1CAM, CHRM4 RAB9A 1899/4885SMN1; SMN2 2913/4885CASP3 2920/4885

“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.