SCHEMBL24549554

SCHEMBL24549554

O=[N+]([O-])c1c(C2(O)C3CC4CC(C3)CC2C4)cccc1C1(O)C2CC3CC(C2)CC1C3

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPR35 Q9HC97 2/20 0.35
HSD11B1 P28845 7/20 0.35
TSHR P16473 1/20 0.32
S100A4 P26447 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PAX8 Q06710 1/20 0.31

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
SCHEMBL24549553 0.77 HSD11B1 (0.40) NPC1RAB9AL3MBTL1ALDH1A1TDP1
SCHEMBL6897685 0.69 HSD11B1 (0.38) HSD11B1SIGMAR1
SCHEMBL24549652 0.68 TDP1 (0.38) RAB9AALDH1A1TDP1GPR35TSHR
SCHEMBL23177230 0.67 SLC6A2 (0.44) ALDH1A1TDP1HSD11B1SIGMAR1MEN1
SCHEMBL24618124 0.65 PDK2 (0.50) NPC1RAB9AHSD11B1
SCHEMBL23628245 0.65 HSD11B1 (0.40) HSD11B1
SCHEMBL23319128 0.65 PDK2 (0.44) NPC1RAB9ATDP1HSD11B1KMT2A
SCHEMBL25054783 0.65 PDK2 (0.44) NPC1RAB9ATDP1HSD11B1KMT2A
SCHEMBL24728921 0.65 ALDH1A1 (0.42) L3MBTL1ALDH1A1TDP1HSD11B1MEN1
SCHEMBL24604948 0.65 PDK2 (0.40) ALDH1A1TDP1HSD11B1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220199918-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2022-06-23 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 (1 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-20220199918-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE EML4, SLC39A14, SLC39A7 NPC1 1543/4885RAB9A 2924/4885L3MBTL1 55/4885

“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.