SCHEMBL6041794

SCHEMBL6041794

CC1C(O)C(c2ccc(O)cc2)C(O)CN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.34
LMNA P02545 1/20 0.33
PRMT5 O14744 1/20 0.31
ESR1 P03372 3/20 0.30
PDE5A O76074 1/20 0.30
GRIN2B Q13224 1/20 0.30
DEGS1 O15121 1/20 0.30
P4HB P07237 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 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
SCHEMBL6043559 0.76 ESR2 (0.36) ESR2LMNAESR1GRIN2BP4HB
SCHEMBL6043554 0.76 ESR2 (0.36) ESR2LMNAESR1GRIN2BP4HB
SCHEMBL29153953 0.70
SCHEMBL29245347 0.70
SCHEMBL28317629 0.70
SCHEMBL30888901 0.70
SCHEMBL30888915 0.70
SCHEMBL21570124 0.70
SCHEMBL21570101 0.70
SCHEMBL6954522 0.69 ESR2 (0.35) ESR2LMNAESR1GRIN2BP4HB

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-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-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 696/4885LMNA 380/4885PRMT5 160/4885

“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.