SCHEMBL7026057

SCHEMBL7026057

O=C(O)c1ccc(Cl)cc1[C@H]1CC[C@H](c2ccc(O)cc2O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
TSHR P16473 2/20 0.47
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TYR P14679 1/20 0.43
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
GRIK1 P39086 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
PTGDR Q13258 3/20 0.39
PTGDR2 Q9Y5Y4 3/20 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
SCHEMBL7026054 1.00 CA1 (0.47) CA1CA2TSHRCA12CA7
SCHEMBL28203667 0.87 TSHR (0.55) CA1CA2TSHRALDH1A1CASP1
SCHEMBL7027323 0.83 ALDH1A1 (0.47) CA1CA2TSHRCA12CA7
SCHEMBL7025130 0.83 CA1 (0.47) CA1CA2TSHRCA12CA7
SCHEMBL7025132 0.83 CA1 (0.47) CA1CA2TSHRCA12CA7
SCHEMBL29655541 0.82 CA12 (0.53) CA1CA2TSHRCA12CA7
SCHEMBL7029347 0.80 CA12 (0.44) CA1CA2TSHRCA12CA7
SCHEMBL7030578 0.80 MRGPRX4 (0.47) CA1CA2TSHRCA12CA7
SCHEMBL7028623 0.80 NPC1 (0.47) CA1CA2TSHRCA12CA7
SCHEMBL7024833 0.80 CA12 (0.44) CA1CA2TSHRCA12CA7

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 CA1 4823/4885CA2 4676/4885TSHR 3673/4885

“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.