SCHEMBL4670686

SCHEMBL4670686

CCCCN=Cc1ccc2cc(OC)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.47
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP19A1 P11511 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 1/20 0.41
MAOB P27338 1/20 0.40
NQO2 P16083 2/20 0.40
EZH2 Q15910 1/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM5 P08912 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ESR1 P03372 4/20 0.39

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
SCHEMBL4670683 1.00 AHR (0.47) AHRALDH1A1KDM4ECYP19A1CYP1A2
SCHEMBL9781269 0.85 ALDH1A1 (0.57) AHRALDH1A1KDM4ECYP1A2CYP2A6
SCHEMBL3792539 0.85 ALDH1A1 (0.57) AHRALDH1A1KDM4ECYP1A2CYP2A6
SCHEMBL23934771 0.84 CYP1A2 (0.46) AHRALDH1A1KDM4ECYP19A1CYP1A2
SCHEMBL20871104 0.81 ALDH1A1 (0.56) AHRALDH1A1KDM4ECYP1A2CYP2A6
SCHEMBL20871369 0.80 ALDH1A1 (0.55) AHRALDH1A1KDM4ECYP1A2CYP2A6
SCHEMBL20871376 0.80 ALDH1A1 (0.55) AHRALDH1A1KDM4ECYP1A2CYP2A6
SCHEMBL20871374 0.80 ALDH1A1 (0.55) AHRALDH1A1KDM4ECYP1A2CYP2A6
SCHEMBL19233527 0.80 ALDH1A1 (0.55) AHRALDH1A1KDM4ECYP1A2CYP2A6
SCHEMBL9007152 0.80 ALDH1A1 (0.55) AHRALDH1A1KDM4ECYP1A2CYP2A6

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 AHR 38/4885ALDH1A1 658/4885KDM4E 3881/4885

“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.