SCHEMBL7522985

SCHEMBL7522985

O=C(O)COc1ccc2c(c1)CCC(Br)C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP24A1 Q07973 4/20 0.44
CYP26A1 O43174 2/20 0.44
PTPN7 P35236 1/20 0.42
CYP27A1 Q02318 2/20 0.42
MAOA P21397 3/20 0.42
MAOB P27338 2/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
ACHE P22303 1/20 0.41
CYP19A1 P11511 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL7528414 0.90 HSD17B10 (0.52) ALOX15TSHRHSD17B10MAPTL3MBTL1
SCHEMBL7522620 0.86 HSD17B10 (0.51) ALOX15TSHRHSD17B10MAPTL3MBTL1
SCHEMBL7401506 0.86 AOC3 (0.44) HSD17B10ITGB3ITGA2BKDM4EALDH1A1
SCHEMBL227895 0.81 MAOB (0.61) ITGB3ITGA2BALDH1A1CYP24A1MAOA
SCHEMBL13193349 0.80 THRA (0.62) MAPTL3MBTL1ALDH1A1CYP24A1CYP26A1
SCHEMBL7389120 0.79 HSD17B10 (0.62) ALOX15TSHRHSD17B10MAPTL3MBTL1
SCHEMBL31711410 0.79 HSD17B10 (0.62) ALOX15TSHRHSD17B10MAPTL3MBTL1
SCHEMBL7962734 0.78 SMN1; SMN2 (0.48) ITGB3ITGA2BCYP24A1CYP26A1CYP27A1
SCHEMBL2440274 0.77 CYP24A1 (0.56) CYP24A1CYP26A1CYP27A1ACHECYP19A1
SCHEMBL7520647 0.76 ALOX15 (0.68) ALOX15TSHRHSD17B10MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 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-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR ALOX15 448/4885TSHR 179/4885HSD17B10 864/4885

“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.