SCHEMBL21089388

SCHEMBL21089388

Cc1cc(C)cc(-c2ccc(-c3cc(C)cc(C)c3)c3sc(-c4ccccc4O)nc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.44
TRPM8 Q7Z2W7 3/20 0.39
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GUSB P08236 1/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
HPGD P15428 2/20 0.36
NFKB1 P19838 2/20 0.36
CYP2C19 P33261 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL21089390 0.85 ALDH1A1 (0.43) NPC1RAB9AMAPTKDM4ENPSR1
SCHEMBL21089511 0.84 HPGD (0.48) HTR2BTRPM8NPC1RAB9AMAPT
SCHEMBL21089180 0.80 APP (0.45) HTR2BTRPM8NPC1GUSBKMT2A
SCHEMBL21089515 0.76 CYP11B1 (0.37) HTR2BTRPM8GUSB
SCHEMBL21089526 0.76 MAPT (0.35) NPC1RAB9AMAPTKDM4ENPSR1
SCHEMBL21089488 0.75 HTR2B (0.41) HTR2BTRPM8NPC1RAB9AMAPT
SCHEMBL21089485 0.75 PDCD1 (0.43) HTR2BTRPM8NPC1RAB9AMAPT
SCHEMBL8674981 0.74 ALDH1A1 (0.56) NPC1RAB9AMAPTKDM4EKMT2A
SCHEMBL21089325 0.72 CYP1A2 (0.41) HTR2BTRPM8NPC1RAB9AMAPT
SCHEMBL21089512 0.70 ALDH1A1 (0.48) NPC1RAB9AMAPTKDM4ENPSR1

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 3075/4885TRPM8 562/4885NPC1 3577/4885
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, L1CAM, CHRM4 HTR2B 3075/4885TRPM8 562/4885NPC1 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.