SCHEMBL4672820

SCHEMBL4672820

CC(C)(C)c1ccc(-c2c(O)ccc3cc(C(N)=O)ccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.46
LCK P06239 2/20 0.45
SIRT1 Q96EB6 1/20 0.44
DHODH Q02127 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
HSD17B1 P14061 3/20 0.41
HSD17B2 P37059 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2B6 P20813 2/20 0.41
CYP2C19 P33261 2/20 0.41
SRC P12931 1/20 0.40
PRKACA P17612 1/20 0.40

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
SCHEMBL4670563 0.85 ERN1 (0.49) ERN1LCKESR1ESR2HSD17B1
SCHEMBL4670200 0.82 ERN1 (0.49) ERN1LCKESR1ESR2CNR1
SCHEMBL4672155 0.82 ESR1 (0.57) ERN1LCKESR1ESR2HSD17B1
SCHEMBL4672254 0.82 PARP10 (0.51) ERN1LCK
SCHEMBL6588363 0.79 ESR1 (0.47) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL6588357 0.78 ESR1 (0.46) SIRT1ESR1ESR2HSD17B1HSD17B2
SCHEMBL4672825 0.77 ESR1 (0.43) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL4672809 0.77 XDH (0.37) SIRT1DHODHRARBRARGEPHX2
SCHEMBL2627053 0.75 LCK (0.56) LCKSIRT1DHODHCYP3A4EPHX2
SCHEMBL9622647 0.74 SIRT1 (0.58) LCKSIRT1DHODHCNR1CNR2

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 ERN1 1445/4885LCK 4537/4885SIRT1 1144/4885

“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.