SCHEMBL1798100

SCHEMBL1798100

CCCc1c(O)ccc(Br)c1CO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CYP2D6 P10635 2/20 0.33
DRD4 P21917 2/20 0.33
PRKCI P41743 1/20 0.33
CYP3A4 P08684 1/20 0.33
DRD2 P14416 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
DRD3 P35462 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 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
SCHEMBL28797265 0.90 CNR1 (0.41) CNR1CNR2CYP2D6DRD4PRKCI
SCHEMBL15255041 0.86 CNR1 (0.43) CNR1CNR2CYP2D6DRD4PRKCI
SCHEMBL1760417 0.81 CNR1 (0.50) CNR1CNR2CYP2D6DRD4PRKCI
SCHEMBL30027246 0.81 CNR1 (0.50) CNR1CNR2CYP2D6DRD4PRKCI
SCHEMBL6232640 0.80 CNR1 (0.39) CNR1CNR2PRKCIKDM4EALDH1A1
SCHEMBL28871536 0.80 CNR1 (0.39) CNR1CNR2CYP2D6DRD4PRKCI
SCHEMBL9861540 0.78 PRKCI (0.41) CNR1CNR2CYP2D6DRD4PRKCI
SCHEMBL28417332 0.76 DRD4 (0.39) DRD4TSHR
SCHEMBL6235059 0.75 CNR1 (0.42) CNR1CNR2CYP2D6DRD4PRKCI
SCHEMBL31098402 0.74 KDM4E (0.36) DRD4HSD17B10KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951822-B2 1,3-dihydroisobenzofuran derivatives KOWA COMPANY, LTD. (JP) 2011-05-31 US disclosed
US-7951822-B2 1,3-dihydroisobenzofuran derivatives KOWA COMPANY, LTD. (JP) 2011-05-31 US disclosed
US-7951822-B2 1,3-dihydroisobenzofuran derivatives KOWA COMPANY, LTD. (JP) 2011-05-31 US disclosed
EP-2264029-A1 1,3-DIHYDROISOBENZOFURAN DERIVATIVE Kowa Company, Ltd. (JP) 2010-12-22 EP disclosed
EP-2264029-A1 1,3-DIHYDROISOBENZOFURAN DERIVATIVE Kowa Company, Ltd. (JP) 2010-12-22 EP disclosed
US-20090247587-A1 1,3-DIHYDROISOBENZOFURAN DERIVATIVES KOWA COMPANY, LTD. (JP) 2009-10-01 US disclosed
US-20090247587-A1 1,3-DIHYDROISOBENZOFURAN DERIVATIVES KOWA COMPANY, LTD. (JP) 2009-10-01 US disclosed
US-20090247587-A1 1,3-DIHYDROISOBENZOFURAN DERIVATIVES KOWA COMPANY, LTD. (JP) 2009-10-01 US 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-20090247587-A1 1,3-DIHYDROISOBENZOFURAN DERIVATIVES SREBF1, NR1H2, LDLR CNR1 726/4885CNR2 1087/4885CYP2D6 1240/4885

“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.