SCHEMBL3268773

SCHEMBL3268773

O=CC1=C(Br)CCc2ccc(Cl)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.44
PARP1 P09874 1/20 0.44
F3 P13726 1/20 0.44
PARP10 Q53GL7 1/20 0.44
TYMS P04818 2/20 0.38
TDP1 Q9NUW8 2/20 0.36
SRD5A1 P18405 2/20 0.36
SRD5A2 P31213 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
S100A4 P26447 1/20 0.34
ERN1 O75460 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
METAP1 P53582 1/20 0.34
HTT P42858 1/20 0.34
CYP19A1 P11511 3/20 0.34
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34

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
SCHEMBL3267546 0.86 SRD5A1 (0.46) TYMSTDP1SRD5A1SRD5A2ALDH1A1
SCHEMBL21122868 0.79 PARP10 (0.44) PARP1PARP10TYMSTDP1ALDH1A1
SCHEMBL3273769 0.79 PARP1 (0.44) PARP1PARP10TYMSTDP1SRD5A1
SCHEMBL30856007 0.78 F7 (0.42) F7PARP1F3PARP10TYMS
SCHEMBL3267426 0.78 F7 (0.42) F7PARP1F3PARP10TYMS
SCHEMBL6615621 0.74 CES1 (0.48) PARP1PARP10TDP1SRD5A1SRD5A2
SCHEMBL3267572 0.71
SCHEMBL16400955 0.71 SRD5A1 (0.49) PARP1PARP10TYMSTDP1SRD5A1
SCHEMBL16559383 0.71 F7 (0.58) F7PARP1F3PARP10TYMS
SCHEMBL12522126 0.71 TYMS (0.43) F7PARP1F3PARP10TYMS

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-1914229-B1 NOVEL CERCOSPORAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-06-16 EP disclosed
US-20090036492-A1 Novel Cercosporamide Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-05 US disclosed
CN-101300244-A Novel cercosporamide derivative DAIICHI SANKYO CO LTD (JP) 2008-11-05 CN disclosed
EP-1914229-A1 NOVEL CERCOSPORAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-04-23 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 (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-20090036492-A1 Novel Cercosporamide Derivative GPR119, CBR3, SLC5A2 F7 3317/4885PARP1 4384/4885F3 2323/4885

“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.