SCHEMBL4430657

SCHEMBL4430657

CCOC(=O)c1ccc(C(O)(c2ccccc2Cl)c2ccccc2Cl)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
GRM6 O15303 2/20 0.43
ALDH1A1 P00352 7/20 0.42
HPGD P15428 6/20 0.42
MAPK1 P28482 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TSHR P16473 2/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
MAPT P10636 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40

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
SCHEMBL4432493 0.82 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC6GRM6
SCHEMBL4429443 0.80 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL4434020 0.80 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL4429687 0.77 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL3333355 0.77 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL4429773 0.77 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL12514085 0.75 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL4433279 0.75 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC6GRM6
SCHEMBL4436564 0.73 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL4432501 0.73 HDAC3 (0.48) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 HDAC3 3625/4885HDAC4 4521/4885HDAC1 4373/4885

“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.