SCHEMBL3267546

SCHEMBL3267546

O=CC1=C(Br)CCc2cc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.46
SRD5A2 P31213 2/20 0.46
HTT P42858 1/20 0.45
CYP19A1 P11511 6/20 0.42
CYP11B1 P15538 6/20 0.42
CYP11B2 P19099 6/20 0.42
PTAFR P25105 1/20 0.39
METAP1 P53582 1/20 0.38
TYMS P04818 1/20 0.38
TDP1 Q9NUW8 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

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
SCHEMBL3268773 0.86 F7 (0.44) SRD5A1SRD5A2HTTCYP19A1CYP11B1
SCHEMBL16400955 0.82 SRD5A1 (0.49) SRD5A1SRD5A2CYP19A1CYP11B1CYP11B2
SCHEMBL3272388 0.79 CYP11B2 (0.42) SRD5A1CYP19A1CYP11B1CYP11B2
SCHEMBL30855798 0.78 SRD5A1 (0.45) SRD5A1SRD5A2HTTCYP19A1CYP11B1
SCHEMBL11813271 0.75 SRD5A1 (0.53) SRD5A1SRD5A2HTTCYP19A1CYP11B1
SCHEMBL15282381 0.74 SRD5A1 (0.64) SRD5A1SRD5A2HTTCYP19A1CYP11B1
SCHEMBL6615621 0.74 CES1 (0.48) SRD5A1SRD5A2CYP19A1CYP11B1CYP11B2
SCHEMBL3267572 0.71
SCHEMBL2601324 0.71 METAP1 (0.60) SRD5A1SRD5A2HTTCYP19A1CYP11B1
SCHEMBL4041916 0.71 HTT (0.50) SRD5A1SRD5A2HTTCYP19A1CYP11B1

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 SRD5A1 1601/4885SRD5A2 1332/4885HTT 4846/4885

“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.