SCHEMBL4668649

SCHEMBL4668649

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nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CTSK P43235 1/20 0.31

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
SCHEMBL9005320 1.00 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL9005344 0.85 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL9005310 0.82 CYP1A2 (0.40) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6503240 0.79 CYP2D6 (0.47) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1260230 0.79 CYP2D6 (0.47) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1260232 0.79 CYP2D6 (0.47) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL20921978 0.77 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL8912333 0.75 CYP2D6 (0.46) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL31698005 0.74 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL28836831 0.74 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8

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
JP-5308977-A None JP disclosed
EP-1439162-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3,5-DIHYDROXYCARBOXYLIC ACID DERIVATIVE KANEKA CORP (JP) 2008-03-26 EP disclosed
US-6998495-B2 Method for producing optically active 3,5-dihydroxycarboxylic acid derivative KANEKA CORPORATION (JP) 2006-02-14 US disclosed
US-20040254392-A1 Process for producing optically active 3,5-dihydroxycarboxylic acid derivative KANEKA CORPORATION (JP) 2004-12-16 US disclosed
EP-1439162-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3,5-DIHYDROXYCARBOXYLIC ACID DERIVATIVE KANEKA CORPORATION (JP) 2004-07-21 EP disclosed
JP-H05308977-A PRODUCTION OF OPTICALLY ACTIVE 3,5-DIHYDROXYFATTY ACID ESTER DERIVATIVE KANEGAFUCHI CHEM IND CO LTD 1993-11-22 JP 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-20040254392-A1 Process for producing optically active 3,5-dihydroxycarboxylic acid derivative HAO2, GRHPR, HDHD5 CYP2D6 1105/4885HDAC3 4127/4885HDAC1 4250/4885

“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.