SCHEMBL4970447

SCHEMBL4970447

CC1(C)Oc2ccccc2C1c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.38
KCNE1 P15382 2/20 0.37
KCNQ1 P51787 2/20 0.37
PGR P06401 6/20 0.36
ESR1 P03372 1/20 0.35
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
ESR2 Q92731 1/20 0.35
ABCC9 O60706 1/20 0.35

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
SCHEMBL28258260 0.86 KCNE1 (0.40) HTR2BKCNE1KCNQ1
SCHEMBL4972270 0.85 KCNE1 (0.38) HTR2BKCNE1KCNQ1PGRESR1
SCHEMBL3592483 0.84 ABCB1 (0.38) HTR2BKCNE1KCNQ1
SCHEMBL4973173 0.80 LMNA (0.40) HTR2BKCNE1KCNQ1PGRABCC9
SCHEMBL28181583 0.71 KCNE1 (0.42) HTR2BKCNE1KCNQ1
Dimethylamine SCHEMBL11172565 0.70 OPRD1 (0.43) HTR2B
SCHEMBL4969761 0.69 GAA (0.48) HTR2BABCC9
SCHEMBL17929070 0.69 KCNE1 (0.43) HTR2BKCNE1KCNQ1
SCHEMBL15254619 0.69 KCNE1 (0.43) HTR2BKCNE1KCNQ1
SCHEMBL4970458 0.68 HTR1A (0.37) HTR2BESR2ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408036-B1 PROCESS FOR PRODUCING BENZOFURAN DERIVATIVE TAKEDA PHARMACEUTICAL (JP) 2008-08-27 EP disclosed
US-7323577-B2 Process for producing benzofuran derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-29 US disclosed
US-20060142598-A1 Process for producing benzofuran derivative TAWADA HIROYUKI 2006-06-29 US disclosed
US-7034166-B2 Process for producing benzofuran derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
US-20040210066-A1 Process for producing benzofuran derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-10-21 US disclosed
EP-1408036-A1 PROCESS FOR PRODUCING BENZOFURAN DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-04-14 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 (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-20040210066-A1 Process for producing benzofuran derivative IWS1, HAT1, BRD1 HTR2B 1245/4885KCNE1 1572/4885KCNQ1 1756/4885
US-20060142598-A1 Process for producing benzofuran derivative AHR, CBR3, HAT1 HTR2B 1371/4885KCNE1 1565/4885KCNQ1 1704/4885

“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.