SCHEMBL21089211

SCHEMBL21089211

Oc1ccccc1-c1nc2c(-c3cccc4c3oc3ccccc34)cc(F)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
MAPT P10636 3/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
PRKDC P78527 3/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
MAOA P21397 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TOP2A P11388 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 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
SCHEMBL21089493 0.91 ALOX5 (0.45) ALOX5MAPTHPGDSMN1; SMN2AKR1C3
SCHEMBL21089461 0.90 ALOX5 (0.50) ALOX5MAPTHPGDSMN1; SMN2AKR1C3
SCHEMBL21089269 0.88 ALOX5 (0.46) ALOX5MAPTHPGDSMN1; SMN2AKR1C3
SCHEMBL21089212 0.87 MEN1 (0.40) ALOX5MAPTHPGDSMN1; SMN2PRKDC
SCHEMBL21089399 0.87 ALOX5 (0.45) ALOX5MAPTHPGDSMN1; SMN2AKR1C3
SCHEMBL21089316 0.85 ALOX5 (0.47) ALOX5MAPTHPGDSMN1; SMN2AKR1C3
SCHEMBL21089197 0.84 ALOX5 (0.48) ALOX5MAPTHPGDSMN1; SMN2AKR1C3
SCHEMBL21089393 0.83 KDM4E (0.37) MAPTHPGDSMN1; SMN2AKR1C3AKR1C2
SCHEMBL21089314 0.83 ALOX5 (0.41) ALOX5MAPTHPGDSMN1; SMN2PRKDC
SCHEMBL21089198 0.82 ALOX5 (0.48) ALOX5MAPTHPGDSMN1; SMN2AKR1C3

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 ALOX5 4229/4885MAPT 1819/4885HPGD 4822/4885
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, L1CAM, CHRM4 ALOX5 4229/4885MAPT 1819/4885HPGD 4822/4885

“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.