SCHEMBL7051005

SCHEMBL7051005

COc1ccccc1[CH]F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.61
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
TRPA1 O75762 1/20 0.57
CA12 O43570 1/20 0.57
CA4 P22748 1/20 0.57
CA14 Q9ULX7 1/20 0.57
TFEB P19484 1/20 0.53
CYP1A1 P04798 3/20 0.52
CYP1A2 P05177 3/20 0.52
CYP1B1 Q16678 3/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP19A1 P11511 1/20 0.50
GRIN2D O15399 2/20 0.48
GRIN3B O60391 2/20 0.48
GRIN1 Q05586 2/20 0.48
GRIN2A Q12879 2/20 0.48
GRIN2B Q13224 2/20 0.48

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
SCHEMBL16934143 0.84 NFE2L2 (0.66) NFE2L2CA1CA2CA7CA9
SCHEMBL1603719 0.82 NFE2L2 (0.79) NFE2L2CA1CA2CA7CA9
SCHEMBL240090 0.82 CA1 (0.60) NFE2L2CA1CA2CA7CA9
SCHEMBL7915752 0.82 NFE2L2 (0.79) NFE2L2CA1CA2CA7CA9
SCHEMBL4019329 0.82 NFE2L2 (0.79) NFE2L2CA1CA2CA7CA9
SCHEMBL98304 0.80 NFE2L2 (0.57) NFE2L2CA1CA2CA7CA9
SCHEMBL7770731 0.78 NFE2L2 (0.55) NFE2L2CA1CA2CA7CA9
SCHEMBL1305544 0.78 NFE2L2 (0.55) NFE2L2CA1CA2CA7CA9
SCHEMBL14909 0.78 NFE2L2 (0.55) NFE2L2CA1CA2CA7CA9
SCHEMBL195810 0.78 NFE2L2 (0.55) NFE2L2CA1CA2CA7CA9

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-6673931-B2 (4-(4-(3-(2-METHOXY-BENZYLOXY)-PROPOXY)-PHENYL)-5-(4-METHOXY -NAPHTHALEN-2-YLMETHOXY)-PIPERIDIN-3-YL)-METHANOL FOR EXAMPLE; USE TREATING RESTENOSIS, GLAUCOMA, CARDIAC AND KIDNEY INSUFFICIENCY HOFFMAN-LA ROCHE INC. 2004-01-06 US disclosed
US-20020087002-A1 Naphthalenyl piperidines as renin inhibitors NOVARTIS AG (CH) 2002-07-04 US disclosed
US-6376672-B1 RESTENOSIS; VISION DEFECTS; CARDIOVASCULAR DISORDERS; KIDNEY DIEASES HOFFMANN-LA ROCHE INC. 2002-04-23 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-20020087002-A1 Naphthalenyl piperidines as renin inhibitors REN, TNNI3, PTGIS NFE2L2 497/4885CA1 4711/4885CA2 1719/4885

“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.