SCHEMBL4433269

SCHEMBL4433269

CCOC(=O)c1ccc(C(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
TSHR P16473 1/20 0.45
LMNA P02545 2/20 0.44
C3AR1 Q16581 1/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 2/20 0.43
MMP8 P22894 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CASR P41180 1/20 0.41
CYP1A2 P05177 2/20 0.41
GABRA1 P14867 2/20 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
SCHEMBL4438064 0.88 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC6TSHR
SCHEMBL29130704 0.87 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC6TSHR
SCHEMBL4433286 0.86 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC6LMNA
SCHEMBL4433839 0.86 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC6LMNA
SCHEMBL4427307 0.84 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC6TSHR
SCHEMBL4429427 0.84 C3AR1 (0.48) HDAC3HDAC4HDAC1HDAC6LMNA
SCHEMBL6355813 0.83 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC6TSHR
SCHEMBL4429614 0.81 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC6LMNA
SCHEMBL4437519 0.81 CASP1 (0.47) HDAC3HDAC4HDAC1HDAC6TSHR
SCHEMBL4429609 0.80 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101611008-A C3A receptor modulators and methods of use thereof ENCYSIVE PHARMACEUTICALS INC (US) 2009-12-23 CN disclosed
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
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US 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
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.