SCHEMBL24489673

SCHEMBL24489673

c1ccc(-c2ccc3occ(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
POLB P06746 2/20 0.49
PTPN1 P18031 2/20 0.49
PTPN2 P17706 1/20 0.49
PIN1 Q13526 1/20 0.44
GSK3B P49841 13/20 0.43
PLA2G2A P14555 1/20 0.40
PLA2G4A P47712 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL25466203 0.95 NPC1 (0.50) NPC1POLBPTPN1PTPN2PIN1
SCHEMBL12623225 0.93 NPC1 (0.51) NPC1POLBPTPN1PTPN2PIN1
SCHEMBL1310721 0.92 PTPN1 (0.55) NPC1POLBPTPN1PTPN2PIN1
SCHEMBL29306833 0.89 NPC1 (0.49) NPC1POLBPTPN1PTPN2PIN1
SCHEMBL12623202 0.85 NPC1 (0.48) NPC1POLBPTPN1PTPN2PIN1
SCHEMBL11353246 0.84 POLB (0.49) NPC1POLBPTPN1PTPN2PIN1
SCHEMBL11361497 0.84 POLB (0.49) NPC1POLBPTPN1PTPN2PIN1
SCHEMBL25056606 0.83 NPC1 (0.43) NPC1POLBPTPN1PTPN2PIN1
SCHEMBL27271910 0.82 NFKB1 (0.46) NPC1POLBPTPN1PTPN2PIN1
SCHEMBL24489786 0.81 NPC1 (0.39) NPC1POLBPTPN1PTPN2PIN1

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-20220181559-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SFC CO., LTD (KR) 2022-06-09 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-20220181559-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME VDAC2, TRPA1, TRPM8 NPC1 4287/4885POLB 1274/4885PTPN1 3514/4885

“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.