SCHEMBL5584929

SCHEMBL5584929

CON(C)C(=O)c1cc2c(O)cccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 8/20 0.53
DYRK1A Q13627 3/20 0.53
DYRK1B Q9Y463 2/20 0.53
ICAM1 P05362 1/20 0.47
SELE P16581 1/20 0.47
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
CA2 P00918 1/20 0.43
TRPM8 Q7Z2W7 2/20 0.43
SLC9A1 P19634 3/20 0.41
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL6089315 0.86 CLK1 (0.53) CLK1DYRK1ADYRK1BICAM1SELE
SCHEMBL6329461 0.84 HDAC3 (0.57) CLK1DYRK1ADYRK1BICAM1SELE
SCHEMBL6330056 0.80 CLK1 (0.57) CLK1DYRK1ADYRK1BICAM1SELE
SCHEMBL5584284 0.79 HDAC3 (0.52) DYRK1AICAM1SELEHDAC3HDAC4
SCHEMBL11888470 0.78 CLK1 (0.69) CLK1DYRK1ADYRK1BHDAC3HDAC4
SCHEMBL5584759 0.74 HDAC3 (0.46) CLK1DYRK1ADYRK1BICAM1SELE
SCHEMBL7928289 0.72 CLK1 (0.74) CLK1DYRK1ADYRK1BCLK2CLK4
SCHEMBL22116287 0.71 CA12 (0.55) CLK1DYRK1ADYRK1BCA2TRPM8
SCHEMBL14594121 0.70 CLK1 (0.54) CLK1DYRK1ADYRK1BICAM1SELE
SCHEMBL30682899 0.70 CLK1 (0.49) CLK1DYRK1ADYRK1BICAM1SELE

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
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP 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 (2 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A CLK1 2498/4885DYRK1A 958/4885DYRK1B 1061/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A CLK1 2498/4885DYRK1A 958/4885DYRK1B 1061/4885

“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.