SCHEMBL6041730

SCHEMBL6041730

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 11/20 0.38
ESR1 P03372 9/20 0.38
CYP2C9 P11712 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.34
GRIN2B Q13224 2/20 0.34
NMT1 P30419 2/20 0.34
USP30 Q70CQ3 1/20 0.33
RAB9A P51151 1/20 0.32
MGAM O43451 1/20 0.32

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
SCHEMBL6041733 1.00 ESR2 (0.38) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL2685848 0.91 ESR1 (0.34) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL6041790 0.91 ESR1 (0.34) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL6042353 0.80 S1PR5 (0.49) RAB9A
SCHEMBL6042358 0.80 S1PR5 (0.49) RAB9A
SCHEMBL6043559 0.78 ESR2 (0.36) ESR2ESR1GRIN2BUSP30
SCHEMBL6043554 0.78 ESR2 (0.36) ESR2ESR1GRIN2BUSP30
SCHEMBL6043970 0.78 HDAC4 (0.39) CYP2C9CYP3A4CYP2D6NMT1
SCHEMBL23148291 0.75 USP30 (0.47) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL29450234 0.75 NMT2 (0.42) NMT1RAB9A

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 ESR2 696/4885ESR1 2390/4885CYP2C9 4338/4885

“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.