SCHEMBL4672155

SCHEMBL4672155

NC(=O)c1ccc2c(-c3ccccc3)c(O)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.57
ESR2 Q92731 1/20 0.57
HSD17B1 P14061 7/20 0.56
HSD17B2 P37059 7/20 0.56
CYP1A2 P05177 4/20 0.56
CYP3A4 P08684 4/20 0.56
CYP2D6 P10635 4/20 0.56
CYP2C9 P11712 4/20 0.56
CYP2C19 P33261 4/20 0.56
CYP2B6 P20813 3/20 0.56
LCK P06239 1/20 0.51
ERN1 O75460 3/20 0.51
PLAU P00749 1/20 0.47
CHEK2 O96017 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
DPP4 P27487 3/20 0.42
IP6K1 Q92551 1/20 0.41

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
SCHEMBL1434509 0.88 ESR1 (0.60) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL4670563 0.85 ERN1 (0.49) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL4670200 0.85 ERN1 (0.49) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL30394609 0.85 PLAU (0.47) LCKERN1PLAUCHEK2MKNK1
SCHEMBL4672254 0.82 PARP10 (0.51) LCKERN1PLAUCHEK2MKNK1
SCHEMBL4672820 0.82 ERN1 (0.46) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL10581021 0.77 ESR1 (0.78) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL5426888 0.77 ESR1 (0.90) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL24891599 0.77 ESR1 (0.48) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL9618790 0.75 KDM4E (0.55) ESR1ESR2HSD17B1HSD17B2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397341-B1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2008-08-06 EP disclosed
EP-1397341-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) Wyeth (US) 2004-03-17 EP disclosed
US-6589970-B2 This invention provides novel compounds, pharmaceutical compositions and methods of treating thrombotic disorders in mammals, the compounds having the formula: WYETH 2003-07-08 US disclosed
US-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH 2003-03-06 US disclosed
WO-2003000649-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH (US) 2003-01-03 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-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) SERPINC1, F11, SERPINE1 ESR1 2824/4885ESR2 2174/4885HSD17B1 703/4885

“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.