SCHEMBL7146076

SCHEMBL7146076

CCOC(=O)c1ccc(CO[PH](=O)OCc2ccc(C(=O)OCC)s2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL7146081 0.91 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL13141005 0.84 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL12838390 0.83 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC6ALDH1A1
Hydrochloric Acid SCHEMBL31346687 0.83 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL2653117 0.81 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL5736276 0.81 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL7018973 0.80 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL6848383 0.80 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL6814615 0.80 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL2653869 0.79 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301505-A2 THIOPHENE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-16 EP disclosed
US-6403810-B2 RESPIRATORY SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. 2002-06-11 US disclosed
US-20020019438-A1 Thiophene derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-02-14 US disclosed
WO-2002004439-A2 THIOPHENE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-17 WO 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-20020019438-A1 Thiophene derivatives RARG, RARA, RARB HDAC3 1289/4885HDAC4 1524/4885HDAC1 2034/4885

“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.