SCHEMBL2425934

SCHEMBL2425934

NC(=O)c1ccc(C(=O)OCc2ccccc2)cc1NC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.60
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ EPHX1 P07099 1/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ SGMS2 Q8NHU3 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA3 P07451 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA7 P43166 1/20 0.42

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
SCHEMBL2423525 0.83 ALOX15 (0.72) ALOX15ALDH1A1RAB9ANPC1MAPT
SCHEMBL2432136 0.82 ALOX15 (0.57) ALOX15ALDH1A1LMNARAB9ANPC1
SCHEMBL7564611 0.81 ALOX15 (0.64) ALOX15ALDH1A1LMNARAB9ANPC1
SCHEMBL2424448 0.80 HCAR3 (0.56) ALOX15TP53CA1CA2CA3
SCHEMBL13451005 0.80 CA1 (0.53) ALOX15MAPTTP53CA1CA2
SCHEMBL2426534 0.78 HCAR3 (0.57) ALOX15TP53CA1CA2CA3
SCHEMBL15320793 0.77 ALOX15 (0.73) ALOX15ALDH1A1RAB9ANPC1MAPT
SCHEMBL2426793 0.76 HCAR3 (0.57) ALOX15CA1CA2CA3CA6
SCHEMBL13450303 0.76 CA1 (0.48) ALOX15TP53CA1CA2CA3
SCHEMBL15320680 0.75 ALOX15 (1.00) ALOX15LMNAMAPTSMN1; SMN2KMT2A

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
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 — — US disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 — — EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 — — EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 — — US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 — — 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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 ALOX15 1532/4885ALDH1A1 323/4885LMNA 486/4885

“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.

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