SCHEMBL5485861

SCHEMBL5485861

COc1cc(C(=O)CBr)cc(OC)c1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.46
GAA P10253 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
NFKB1 P19838 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA3 P07451 1/20 0.41
PKM P14618 1/20 0.41
CA5A P35218 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
MEN1 O00255 2/20 0.40

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
SCHEMBL28520091 0.81 LMNA (0.58) GAAALDH1A1TSHRHSD17B10NFKB1
SCHEMBL503143 0.79 MEN1 (0.58) GSK3BGAAALDH1A1TSHRMEN1
SCHEMBL11162299 0.79 PKM (0.60) GSK3BGAAALDH1A1CA12CA1
SCHEMBL2390640 0.79 GSK3B (0.52) GSK3BGAAALDH1A1TSHRCA12
SCHEMBL12418371 0.79 MEN1 (0.56) GSK3BALDH1A1TSHRTDP1CA12
SCHEMBL12553293 0.77 ALDH1A1 (0.49) GAAALDH1A1TSHRHSD17B10NFKB1
SCHEMBL1599400 0.77 HSD17B10 (0.56) GAAALDH1A1TSHRHSD17B10NFKB1
SCHEMBL29620831 0.74 TSHR (0.63) GSK3BGAAALDH1A1TSHRCA12
SCHEMBL426444 0.74 TSHR (0.63) GSK3BGAAALDH1A1TSHRCA12
SCHEMBL1929760 0.73 TUBB4A (0.47) GSK3BGAAALDH1A1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021390-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments SCRAS 2007-01-25 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-20070021390-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments PARK7, SNCA, COMT GSK3B 364/4885GAA 431/4885ALDH1A1 305/4885

“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.