SCHEMBL4028684

SCHEMBL4028684

CCOC(=O)c1ccc(-c2cc(O)n(C)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA7 P43166 3/20 0.51
CA9 Q16790 3/20 0.51
CA14 Q9ULX7 3/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HSP90AA1 P07900 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 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
SCHEMBL17290366 0.84 ALDH1A1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL4692437 0.78 FAAH (0.58) CA12CA1CA2CA7CA9
SCHEMBL12427203 0.76 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL8892611 0.75 ESRRA (0.53) ALDH1A1HPGDNPSR1LMNACYP1A2
SCHEMBL1965326 0.75 CA1 (0.73) CA12CA1CA2CA7CA9
SCHEMBL16351874 0.75 CA1 (0.73) CA12CA1CA2CA7CA9
SCHEMBL20993472 0.74 JMJD6 (0.54) CA12CA1CA2CA7CA9
SCHEMBL537688 0.74 CYP1A2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL5340156 0.74 FAAH (0.57) ALDH1A1HPGDTDP1LMNAL3MBTL1
SCHEMBL4689595 0.74 MAPT (0.58) ALDH1A1HTTTDP1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1767528-B1 PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL IND CO (JP) 2014-09-17 EP disclosed
CN-1938278-B Process for producing 5-hydroxy-4-thiomethylpyrazole compound IHARA CHEMICAL IND CO 2012-12-12 CN disclosed
US-7488831-B2 Process for producing 5-hydroxy-4-thiomethylpyrazole compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2009-02-10 US disclosed
US-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-09 US disclosed
EP-1767528-A1 PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2007-03-28 EP disclosed
CN-1938278-A Process for producing 5-hydroxy-4-thiomethylpyrazole compound IHARA CHEMICAL IND CO (JP) 2007-03-28 CN 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-20070185334-A1 Process for producing 5-hydroxy-4-thiomethylpyrazole compound CYP3A5, CYP4F11, GTF3C5 CA12 3626/4885CA1 3141/4885CA2 2181/4885

“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.