Sugi Predict

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SCHEMBL8076019

SCHEMBL8076019

C=C(C)CC(C(=O)OCC)c1cc(OCc2ccccc2)cc(OCc2cc(F)cc(F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ FFAR1 O14842 2/20 0.44
▸ PSEN1 P49768 1/20 0.43
▸ PSEN2 P49810 1/20 0.43
▸ APH1B Q8WW43 1/20 0.43
▸ NCSTN Q92542 1/20 0.43
▸ APH1A Q96BI3 1/20 0.43
▸ PSENEN Q9NZ42 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.39
▸ MAOB P27338 6/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38

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
SCHEMBL12016848 0.93 LMNA (0.43) LMNAL3MBTL1FFAR1PSEN1PSEN2
SCHEMBL8077799 0.87 LMNA (0.49) LMNAL3MBTL1FFAR1PSEN1PSEN2
SCHEMBL2070278 0.86 LMNA (0.49) LMNAL3MBTL1FFAR1PSEN1PSEN2
SCHEMBL12845212 0.83 PSEN1 (0.54) LMNAL3MBTL1FFAR1PSEN1PSEN2
SCHEMBL491324 0.82 KMT2A (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478133 0.81 PSEN1 (0.69) LMNAL3MBTL1FFAR1PSEN1PSEN2
SCHEMBL7811580 0.78 LMNA (0.53) LMNAL3MBTL1FFAR1PSEN1PSEN2
SCHEMBL491336 0.77 MAOB (0.44) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL491396 0.76 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2846665 0.73 KMT2A (0.56) KMT2AMEN1SMN1; SMN2MAOBALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897643-B2 Biphenyl carboxylic acids and derivatives thereof JANSSEN PHARMACEUTICA N.V. (BE) 2011-03-01 — — US disclosed
US-7897643-B2 Biphenyl carboxylic acids and derivatives thereof JANSSEN PHARMACEUTICA N.V. (BE) 2011-03-01 — — US disclosed
US-20090306392-A1 GSM INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-10 — — US disclosed
US-20090306392-A1 GSM INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-10 — — US disclosed
WO-2009052341-A1 GSM INTERMEDIATES JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 — — WO disclosed
US-20090105344-A1 BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 — — US disclosed
US-20090105344-A1 BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 — — US disclosed
WO-2009051948-A1 BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 — — 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 (2 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-20090306392-A1 GSM INTERMEDIATES BACE1, GSAP, PSEN1 LMNA 1273/4885L3MBTL1 2111/4885FFAR1 1895/4885
US-20090105344-A1 BIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES THEREOF BACE1, BACE2, APP LMNA 2682/4885L3MBTL1 2444/4885FFAR1 220/4885

“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.