SCHEMBL25513824

SCHEMBL25513824

CCCCc1cc(C#N)c2c(c1)S(C)(C)c1cc(CCCC)cc(C#N)c1N2B1c2ccccc2S(C)(C)c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL25513692 0.89
SCHEMBL25513547 0.89
SCHEMBL25513912 0.81 NPC1 (0.31) NPC1ALDH1A1HPGDCASP3RAB9A
SCHEMBL25512036 0.76 NPC1 (0.32) NPC1ALDH1A1HPGDCASP3RAB9A
SCHEMBL25512593 0.76 CNR1 (0.32) NPC1ALDH1A1HPGDCASP3RAB9A
SCHEMBL25512702 0.76 ALDH1A1 (0.32) NPC1ALDH1A1HPGDCASP3RAB9A
SCHEMBL25513757 0.74 LPL (0.34)
SCHEMBL25512181 0.73 NPC1 (0.30) NPC1ALDH1A1HPGDCASP3RAB9A
SCHEMBL25512402 0.73 CNR1 (0.31) NPC1ALDH1A1HPGDCASP3RAB9A
SCHEMBL25513279 0.72

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-20230159567-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-25 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-20230159567-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OR10J3, OXER1, OXSR1 NPC1 3250/4885ALDH1A1 2779/4885HPGD 3270/4885

“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.