SCHEMBL6042353

SCHEMBL6042353

O=C(O)N1C[C@@H](CO)C(c2ccc(OCc3ccccc3)cc2)[C@@H](CO)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 2/20 0.49
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
KCNH2 Q12809 1/20 0.46
MAOB P27338 5/20 0.45
PARP10 Q53GL7 1/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SRD5A2 P31213 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL6042358 1.00 S1PR5 (0.49) S1PR5NR4A1NR4A2NR4A3KCNH2
SCHEMBL7591191 0.89 REN (0.45) KCNH2LMNAHTTRAB9ASMN1; SMN2
SCHEMBL6044047 0.89 REN (0.45) KCNH2LMNAHTTRAB9ASMN1; SMN2
SCHEMBL6044040 0.89 REN (0.45) KCNH2LMNAHTTRAB9ASMN1; SMN2
SCHEMBL6042797 0.84 MAOA (0.48) S1PR5NR4A1NR4A2NR4A3KCNH2
SCHEMBL27037863 0.83 S1PR5 (0.54) S1PR5NR4A1NR4A2NR4A3KCNH2
SCHEMBL6041679 0.83 REN (0.47) KCNH2LMNAHTTRAB9ASMN1; SMN2
SCHEMBL6041730 0.80 ESR2 (0.38) RAB9A
SCHEMBL6041733 0.80 ESR2 (0.38) RAB9A
SCHEMBL6042268 0.79 REN (0.45) KCNH2LMNAHTTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 S1PR5 1925/4885NR4A1 892/4885NR4A2 1122/4885

“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.