SCHEMBL4432455

SCHEMBL4432455

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.58
C3AR1 Q16581 2/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 3/20 0.44
ADRA2C P18825 1/20 0.44
MAOA P21397 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 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
SCHEMBL4433275 0.85 DAO (0.59) DAOC3AR1PKMLIG1
SCHEMBL4430958 0.84 DAO (0.53) DAOC3AR1HPGDALDH1A1
SCHEMBL4438845 0.84 DAO (0.53) DAOC3AR1HPGDADRA2CMAOA
SCHEMBL4439617 0.82 DAO (0.51) DAOC3AR1MEN1POLBRAB9A
SCHEMBL4437601 0.82 C3AR1 (0.54) DAOC3AR1MEN1POLBRAB9A
SCHEMBL4437624 0.78 DAO (0.47) DAOMEN1POLBKMT2AHPGD
SCHEMBL4682575 0.78 DAO (0.50) DAOMEN1POLBRAB9AKMT2A
SCHEMBL4432196 0.78 DAO (0.50) DAOMEN1POLBRAB9AKMT2A
SCHEMBL4433269 0.77 HDAC3 (0.49) C3AR1MEN1POLBRAB9AKMT2A
SCHEMBL4429555 0.77 DAO (0.53) DAOMEN1POLBRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776411-B1 MODULATORS OF C3A RECEPTORS UNIV QUEENSLAND (AU) 2019-06-26 EP disclosed
US-9586914-B2 Modulators of C3a receptors THE UNIVERSITY OF QUEENSLAND (AU) 2017-03-07 US disclosed
US-20140302069-A1 MODULATORS OF C3A RECEPTORS THE UNIVERSITY OF QUEENSLAND (AU) 2014-10-09 US disclosed
EP-2776411-A1 MODULATORS OF C3A RECEPTORS The University of Queensland (AU) 2014-09-17 EP disclosed
WO-2013067578-A1 MODULATORS OF C3A RECEPTORS THE UNIVERSITY OF QUEENSLAND (AU) 2013-05-16 WO disclosed
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 (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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 DAO 1635/4885C3AR1 1/4885MEN1 2114/4885
US-20140302069-A1 MODULATORS OF C3A RECEPTORS C3AR1, C5AR2, C5AR1 DAO 2994/4885C3AR1 1/4885MEN1 1697/4885

“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.