SCHEMBL6402971

SCHEMBL6402971

CC(C)(C)c1cccc2c1C(O)C(=O)O2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
GRM2 Q14416 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL5603503 0.80 CA2 (0.34) CA2GABRA1GABRB2
SCHEMBL4802675 0.76 GAA (0.46) CA2ALDH1A1TSHRTDP1GRM2
SCHEMBL2935832 0.76 MEN1 (0.37) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1233033 0.73 IDO1 (0.34) ALDH1A1MAOBGRM2NPSR1
SCHEMBL8431458 0.71 GAA (0.35) GABRA1GABRB2NPSR1
SCHEMBL1144737 0.71 MAPT (0.42) ALDH1A1TSHRMAOAMAOB
SCHEMBL1274016 0.68 KDM4E (0.41) ALDH1A1TSHRTDP1MAOAMAOB
SCHEMBL3353198 0.66 NR3C1 (0.41) CA2MAOAMAOBGRM2NPSR1
SCHEMBL5544519 0.65 MAOA (0.68) TSHRMAOAMAOBNPSR1
SCHEMBL4343407 0.65 GABBR2 (0.47) CA2GABRA1GABRB2ALDH1A1TSHR

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-20050118248-A1 Amphiphilic derivatives for the production of vesicles, micelles and complexants, and precursors thereof BEN-GURION UNIVERSITY OF THE NEGEV RESEARCH AND DE (IL) 2005-06-02 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-20050118248-A1 Amphiphilic derivatives for the production of vesicles, micelles and complexants, and precursors thereof CHMP4B, LIPA, VPS4B CA2 1939/4885GABRA1 1436/4885GABRB2 2319/4885

“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.