SCHEMBL7029347

SCHEMBL7029347

CC(C)(C)c1ccc(C(=O)O)c(C2CCC(c3ccc(O)cc3O)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 2/20 0.41
TYR P14679 1/20 0.41
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
RXRB P28702 1/20 0.35
PTPN5 P54829 1/20 0.35
CAMKK2 Q96RR4 2/20 0.35

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
SCHEMBL7029353 1.00 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL31459937 0.88 TDP1 (0.50) TDP1PDK1PDK2AKR1C2AKR1C1
SCHEMBL7030578 0.87 MRGPRX4 (0.47) CA12CA1CA2CA7CA9
SCHEMBL7030581 0.87 MRGPRX4 (0.47) CA12CA1CA2CA7CA9
SCHEMBL7027323 0.83 ALDH1A1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL7026057 0.80 CA1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL7026054 0.80 CA1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL7025132 0.80 CA1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL7025130 0.80 CA1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL7028623 0.80 NPC1 (0.47) CA12CA1CA2CA7CA9

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-20030088113-A1 Process for preparing resorcinol derivatives BRADLEY STUART EDWARD (GB) 2003-05-08 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-20030088113-A1 Process for preparing resorcinol derivatives CYP4B1, CYP4A11, POR CA12 4770/4885CA1 4823/4885CA2 4676/4885

“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.