SCHEMBL3595820

SCHEMBL3595820

COc1ccc(Br)c(SCC(OC)OC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP1A2 P05177 4/20 0.34
CYP2E1 P05181 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C8 P10632 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2B6 P20813 3/20 0.34
CYP2C19 P33261 3/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HSP90AA1 P07900 3/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32

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
SCHEMBL3598536 0.81 MAOA (0.36) MAOAMAOBHTR2A
SCHEMBL5153339 0.76 MAOA (0.61) MAOAMAOBCYP3A4CYP2C9CYP2C19
SCHEMBL19297784 0.75 APP (0.49) MAOAMAOBCYP1A2CYP2E1CYP3A4
SCHEMBL5878716 0.75 CRHR1 (0.42) CYP1A2CYP3A4CA12CA1CA2
SCHEMBL21950833 0.73 CRHR1 (0.41) CYP1A2HTR2AHTR2CCA12CA1
SCHEMBL2802030 0.73 CYP2E1 (0.49) HPGDMAOBCYP1A2CYP2E1CYP3A4
SCHEMBL8214700 0.72 CA12 (0.39) HPGDCYP1A2CYP3A4HTR2AHTR2C
SCHEMBL1773871 0.72 APP (0.47) MAOAMAOBCYP1A2CYP2C9CA12
SCHEMBL31358088 0.71 MAOA (0.36) MAOAMAOBHTR2A
SCHEMBL15390878 0.71 MAOA (0.36) MAOAMAOBCYP1A2CYP2D6CYP2C9

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-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 HPGD 1006/4885MAOA 2120/4885MAOB 959/4885

“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.