SCHEMBL7188570

SCHEMBL7188570

CC(F)c1cc(O)ccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.52
CA1 P00915 6/20 0.52
CA2 P00918 6/20 0.52
CA9 Q16790 6/20 0.52
CA7 P43166 5/20 0.52
CA14 Q9ULX7 5/20 0.52
ALDH1A1 P00352 4/20 0.52
TSHR P16473 1/20 0.52
ALOX5 P09917 1/20 0.47
PTGS2 P35354 1/20 0.47
ACE2 Q9BYF1 2/20 0.42
TDP1 Q9NUW8 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MYC P01106 1/20 0.41
PTPN1 P18031 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CES2 O00748 1/20 0.39

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
SCHEMBL31335669 0.85 ALDH1A1 (0.55) CA12CA1CA2CA9CA7
SCHEMBL27949294 0.85 CA12 (0.55) CA12CA1CA2CA9CA7
SCHEMBL38825 0.85 CA12 (0.55) CA12CA1CA2CA9CA7
SCHEMBL926233 0.83 CA12 (0.53) CA12CA1CA2CA9CA7
SCHEMBL11021005 0.81 CA12 (0.52) CA12CA1CA2CA9CA7
SCHEMBL11021752 0.81 CA12 (0.52) CA12CA1CA2CA9CA7
SCHEMBL6236448 0.79 CA12 (0.48) CA12CA1CA2CA9CA7
SCHEMBL39297 0.79 CA12 (0.48) CA12CA1CA2CA9CA7
SCHEMBL1487539 0.78 CA12 (0.44) CA12CA1CA2CA9CA7
SCHEMBL8767651 0.77 TYR (0.60) CA12CA1CA2CA9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6639093-B2 Reacting benzyl chloride with hydroxybenzoic acid BAYER AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
US-20030053964-A1 Process for the preparation of hydroxybenzoic benzyl esters BAYER AKTIENGESELLSCHAFT (DE) 2003-03-20 US disclosed
EP-1249443-A2 Process for the production of hydroxybenzoic acid benzyl esters BAYER AG (DE) 2002-10-16 EP 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-20030053964-A1 Process for the preparation of hydroxybenzoic benzyl esters HAAO, HPD, HACL2 CA12 1210/4885CA1 2336/4885CA2 944/4885

“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.