SCHEMBL21089488

SCHEMBL21089488

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.41
KMT2A Q03164 3/20 0.38
NPC1 O15118 3/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
APP P05067 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
SNCA P37840 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL21089315 0.86 HTR2B (0.38) HTR2BKMT2ANPC1MEN1KDM4E
SCHEMBL21089193 0.85 ESR2 (0.41) HTR2BKMT2ANPC1MEN1KDM4E
SCHEMBL21089485 0.85 PDCD1 (0.43) HTR2BKMT2ANPC1MEN1KDM4E
SCHEMBL21089319 0.84 PTGS2 (0.44) HTR2BKMT2ANPC1MEN1KDM4E
SCHEMBL21089270 0.81 KDM4E (0.38) HTR2BKMT2ANPC1MEN1KDM4E
SCHEMBL21089408 0.81 PSMB8 (0.36) NPC1KDM4EMAPTRAB9AAPP
SCHEMBL21089388 0.75 HTR2B (0.44) HTR2BKMT2ANPC1MEN1KDM4E
SCHEMBL21089198 0.75 ALOX5 (0.48) KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL21089299 0.72 HSD17B1 (0.42) HTR2BKMT2ANPC1MEN1KDM4E
SCHEMBL21089671 0.72 RAB9A (0.40) HTR2BKMT2ANPC1MEN1KDM4E

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 HTR2B 3075/4885KMT2A 1580/4885NPC1 3577/4885
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, L1CAM, CHRM4 HTR2B 3075/4885KMT2A 1580/4885NPC1 3577/4885

“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.