SCHEMBL10015554

SCHEMBL10015554

O=C(O)c1c(O)cccc1-c1cccc(O)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.67
▸ CA2 P00918 4/20 0.67
▸ CA12 O43570 3/20 0.67
▸ CA7 P43166 3/20 0.67
▸ CA9 Q16790 3/20 0.67
▸ CA14 Q9ULX7 3/20 0.67
▸ THRB P10828 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ CA6 P23280 2/20 0.46
▸ ADAMTS4 O75173 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ FYN P06241 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ MMP12 P39900 1/20 0.46

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
SCHEMBL10046425 0.91 CA12 (0.80) CA1CA2CA12CA7CA9
SCHEMBL12485837 0.86 CA1 (0.54) CA1CA2CA12CA7CA9
SCHEMBL28414016 0.85 CA12 (0.64) CA1CA2CA12CA7CA9
SCHEMBL5603402 0.81 CA1 (1.00) CA1CA2CA12CA7CA9
SCHEMBL224031 0.81 CA1 (1.00) CA1CA2CA12CA7CA9
SCHEMBL3264678 0.81 CA12 (0.64) CA1CA2CA12CA7CA9
SCHEMBL29453072 0.81 ALDH1A1 (0.69) CA1CA2CA12CA14THRB
SCHEMBL337585 0.81 ALDH1A1 (0.69) CA1CA2CA12CA14THRB
SCHEMBL7026198 0.79 ALDH1A1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL9418781 0.79 CA12 (0.61) CA1CA2CA12CA7CA9

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-8207374-B2 Process for the synthesis of ethers of aromatic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-26 — — US disclosed
US-20100016540-A1 PROCESS FOR THE SYNTHESIS OF ETHERS OF AROMATIC ACIDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-01-21 — — US disclosed
US-7378547-B1 Process for the synthesis of hydroxy aromatic acids E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-05-27 — — 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-20100016540-A1 PROCESS FOR THE SYNTHESIS OF ETHERS OF AROMATIC ACIDS DDC, TYR, AHR CA1 3260/4885CA2 3035/4885CA12 3277/4885

“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.

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