SCHEMBL2887472

SCHEMBL2887472

O=C1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.55
ACHE P22303 2/20 0.55
PDPK1 O15530 2/20 0.54
MTOR P42345 1/20 0.54
PSEN1 P49768 4/20 0.49
PSEN2 P49810 4/20 0.49
APH1B Q8WW43 4/20 0.49
NCSTN Q92542 4/20 0.49
APH1A Q96BI3 4/20 0.49
PSENEN Q9NZ42 4/20 0.49
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
IDO1 P14902 2/20 0.40
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TACR1 P25103 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL3818662 1.00 BCHE (0.55) BCHEACHEPDPK1MTORPSEN1
SCHEMBL20197242 0.81 PDPK1 (0.50) BCHEACHEPDPK1MTORPSEN1
SCHEMBL26836013 0.75 PSEN1 (0.48) BCHEACHEPDPK1MTORPSEN1
SCHEMBL15973685 0.75 BCHE (0.47) BCHEACHEPDPK1MTORPSEN1
SCHEMBL20107401 0.75 BCHE (0.47) BCHEACHEPDPK1MTORPSEN1
SCHEMBL18573703 0.75 BCHE (0.47) BCHEACHEPDPK1MTORPSEN1
SCHEMBL6342281 0.75 BCHE (0.47) BCHEACHEPDPK1MTORPSEN1
SCHEMBL20107391 0.75 BCHE (0.47) BCHEACHEPDPK1MTORPSEN1
SCHEMBL26836012 0.75 PSEN1 (0.48) BCHEACHEPDPK1MTORPSEN1
SCHEMBL10735399 0.74 PSEN1 (0.50) BCHEACHEPDPK1MTORPSEN1

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-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-03-18 US disclosed
EP-2086324-A2 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS Merck & Co., Inc. (US) 2009-08-12 EP disclosed
WO-2008057336-A2 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK & CO., INC. (US) 2008-05-15 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-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS LDLR, PCSK9, CYP46A1 BCHE 750/4885ACHE 1853/4885PDPK1 3018/4885

“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.