SCHEMBL27018675

SCHEMBL27018675

Cc1cc(F)ccc1Oc1ccccc(=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ SCN8A Q9UQD0 6/20 0.40
▸ SCN10A Q9Y5Y9 6/20 0.40
▸ HDAC4 P56524 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ NPBWR1 P48145 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38

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
SCHEMBL23249850 0.84 HSPB1 (0.44) —
SCHEMBL4440723 0.79 MEN1 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGSLC6A4
SCHEMBL4439280 0.79 SLC6A4 (0.53) PIK3CDPIK3CAPIK3CBPIK3CGPTGS1
SCHEMBL23263221 0.75 ALDH1A1 (0.47) SLC6A4SCN8ASCN10AHDAC4HDAC2
SCHEMBL23258770 0.74 PTGS1 (0.46) PTGS1PTGS2HDAC4
SCHEMBL4704057 0.73 SLC6A4 (0.43) PIK3CDPIK3CAPIK3CBPIK3CGSLC6A4
SCHEMBL17508317 0.73 NPSR1 (0.55) PIK3CDPIK3CAPIK3CBPIK3CGSLC6A4
SCHEMBL12725548 0.73 SLC6A4 (0.57) SLC6A4MRGPRX4
SCHEMBL23249861 0.73 HSPB1 (0.43) —
SCHEMBL4437986 0.72 SLC6A4 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPTGS1

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-20240018105-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS KINESID THERAPEUTICS, INC. (US) 2024-01-18 — — 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-20240018105-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS TXNRD2, TXNRD1, SDHB PIK3CD 2759/4885PIK3CA 3917/4885PIK3CB 2979/4885

“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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