SCHEMBL21742986

SCHEMBL21742986

NC(=O)c1cc(SCC2CCC3(CC2)OCCO3)ccc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
HSD17B10 Q99714 3/20 0.36
NPC1 O15118 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
CASP1 P29466 1/20 0.36
RAB9A P51151 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP1 P09874 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GPR119 Q8TDV5 1/20 0.32
IDO1 P14902 1/20 0.32
C5AR1 P21730 2/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
JAK2 O60674 4/20 0.30
JAK1 P23458 4/20 0.30
LMNA P02545 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
SCHEMBL31245781 1.00 SMN1; SMN2 (0.36) SMN1; SMN2HSD17B10NPC1MAPK1MEN1
SCHEMBL21723141 0.80 SLC6A4 (0.34) SMN1; SMN2NPC1AR
SCHEMBL31245805 0.80 AR (0.35) IDO1AR
SCHEMBL31245807 0.80 SLC6A4 (0.34) SMN1; SMN2NPC1AR
SCHEMBL21723707 0.80 AR (0.35) IDO1AR
SCHEMBL22557714 0.79 IRAK4 (0.39) SMN1; SMN2RAB9APARP1ALDH1A1PKM
SCHEMBL30978716 0.79 IRAK4 (0.39) SMN1; SMN2RAB9APARP1ALDH1A1PKM
SCHEMBL21723083 0.78 AR (0.44) AR
SCHEMBL31245795 0.78 AR (0.44) AR
SCHEMBL31245793 0.78 AR (0.44) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834414-B2 1-methyl-4-[(4-phenylphenyl)sulfonylmethyl]cyclohexyanol and 1-methyl-4-[[4-(2-pyridyl)phenyl]sulfonylmethyl]cyclohexanol compounds and their therapeutic use Modern Biosciences Limited (GB) 2023-12-05 US disclosed
US-11834414-B2 1-methyl-4-[(4-phenylphenyl)sulfonylmethyl]cyclohexyanol and 1-methyl-4-[[4-(2-pyridyl)phenyl]sulfonylmethyl]cyclohexanol compounds and their therapeutic use Modern Biosciences Limited (GB) 2023-12-05 US disclosed
WO-2020035560-A1 1-METHYL-4-[(4-PHENYLPHENYL)SULFONYLMETHYL]CYCLOHEXYANOL AND 1-METHYL-4-[[4-(2-PYRIDYL)PHENYL]SULFONYLMETHYL]CYCLOHEXANOL COMPOUNDS AND THEIR THERAPEUTIC USE Modern Biosciences Limited (GB) 2020-02-20 WO 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-11834414-B2 1-methyl-4-[(4-phenylphenyl)sulfonylmethyl]cyclohexyanol and 1-methyl-4-[[4-(2-pyridyl)phenyl]sulfonylmethyl]cyclohexanol compounds and their therapeutic use MALT1, BCL3, MCL1 SMN1; SMN2 1008/4885HSD17B10 1119/4885NPC1 776/4885

“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.