SCHEMBL4509845

SCHEMBL4509845

COC(=O)c1cc(O)cc(Cl)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.52
▸ CA1 P00915 4/20 0.52
▸ CA2 P00918 4/20 0.52
▸ CA7 P43166 4/20 0.52
▸ CA9 Q16790 4/20 0.52
▸ CA14 Q9ULX7 4/20 0.52
▸ PDK2 Q15119 1/20 0.47
▸ PDK4 Q16654 1/20 0.47
▸ GAA P10253 4/20 0.45
▸ ABL1 P00519 1/20 0.43
▸ PTGS2 P35354 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ XDH P47989 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ FUT7 Q11130 1/20 0.42

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
SCHEMBL1538317 0.86 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL423691 0.85 AKR1C4 (0.60) GAAABL1PTGS2KDM4ERECQL
SCHEMBL3489830 0.81 GAA (0.42) CA12CA1CA2CA7CA9
SCHEMBL30888669 0.81 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL8773808 0.81 GAA (0.42) CA12CA1CA2CA7CA9
SCHEMBL24516637 0.81 GALK1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL6410362 0.81 GAA (0.49) CA12CA1CA2CA7CA9
SCHEMBL5961044 0.81 GAA (0.49) CA12CA1CA2CA7CA9
SCHEMBL27914644 0.80 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL23796581 0.78 CYP3A4 (0.56) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112573999-B Preparation method of 3-chlorogentitol 中国海洋大学 2022-09-02 — — CN claimed
CN-112573999-A Preparation method of 3-chlorogentitol 中国海洋大学 2021-03-30 — — CN claimed
CN-112573999-B Preparation method of 3-chlorogentitol 中国海洋大学 2022-09-02 — — CN disclosed
CN-112573999-B Preparation method of 3-chlorogentitol 中国海洋大学 2022-09-02 — — CN disclosed
CN-112573999-A Preparation method of 3-chlorogentitol 中国海洋大学 2021-03-30 — — CN disclosed
CN-112573999-A Preparation method of 3-chlorogentitol 中国海洋大学 2021-03-30 — — CN disclosed
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 — — US disclosed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 — — EP disclosed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 — — WO disclosed
US-20090042957-A1 Substituted Oxyarenes BAYER CROPSCIENCE AG (DE) 2009-02-12 — — US disclosed
US-6949551-B2 Dihalopropene compounds, processes for their preparation, compositions comprising them and their use as pesticides BAYER CROPSCIENCE S.A. (FR) 2005-09-27 — — US disclosed
US-20040029886-A1 Dihalopropene compounds, processes for their preparation, compositions comprising them and their use as pesticides MERIAL, INC. 2004-02-12 — — 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 (3 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-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS CAT, HSF1, HPD CA12 2197/4885CA1 1091/4885CA2 341/4885
US-20040029886-A1 Dihalopropene compounds, processes for their preparation, compositions comprising them and their use as pesticides DDT, CBR1, CBR3 CA12 1980/4885CA1 689/4885CA2 748/4885
US-20090042957-A1 Substituted Oxyarenes CYP1A1, OXER1, CYP1A2 CA12 3801/4885CA1 2100/4885CA2 1475/4885

“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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