SCHEMBL7593841

SCHEMBL7593841

CCOP(=O)(O)c1cc(-c2ccc(CBr)cc2)ccc1OC(C)C1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ GRM2 Q14416 3/20 0.31
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RXRG P48443 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ SYK P43405 1/20 0.30

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
SCHEMBL7597971 0.89 ALDH1A1 (0.34) SRCALDH1A1DHODHIRAK4
SCHEMBL7187728 0.83 GRM2 (0.33) FFAR4GRM2RXRARXRBRXRG
SCHEMBL7527451 0.80 ALDH1A1 (0.39) ALDH1A1
SCHEMBL7593796 0.80 PTPN1 (0.44) RXRARXRBRXRG
SCHEMBL7186784 0.78 ALDH1A1 (0.44) ALDH1A1
SCHEMBL7181991 0.77 CFD (0.42) ALDH1A1RXRARXRBRXRG
SCHEMBL7188009 0.77 ALDH1A1 (0.47) ALDH1A1
SCHEMBL7198638 0.71 ALDH1A1 (0.37) ALDH1A1
SCHEMBL7597964 0.69 NPC1 (0.33) ALDH1A1IRAK4SYK
SCHEMBL7593786 0.69 PTPN1 (0.40) RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 — — US disclosed
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors MERCK FROSST CANADA LTD. (CA) 2002-07-11 — — 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-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO SRC 112/4885FFAR4 1786/4885ALDH1A1 312/4885

“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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