SCHEMBL4464586

SCHEMBL4464586

c1ccc(C(CC2CO2)OC(CC2CO2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
DHFR P00374 1/20 0.35
APOBEC3A P31941 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TAAR1 Q96RJ0 2/20 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
SCHEMBL20125070 0.87 TDP1 (0.43) TDP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL18531113 0.87 TDP1 (0.43) TDP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL15247429 0.85 TDP1 (0.42) TDP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL10643254 0.81 MAPT (0.37) TDP1ALDH1A1TSHRTP53CYP3A4
SCHEMBL9827001 0.81 AOC3 (0.37) CYP3A4
SCHEMBL5495958 0.79 TDP1 (0.45) TDP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL9826255 0.79 PKM (0.43) TDP1ALDH1A1KMT2AMEN1TSHR
SCHEMBL3117376 0.78 TDP1 (0.44) TDP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL3901257 0.78 ALDH1A1 (0.35) ALDH1A1MGLL
SCHEMBL334612 0.77 KMT2A (0.38) TDP1CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582355-B2 Optical unit using plastic lenses FUJIFILM CORPORATION (JP) 2009-09-01 US disclosed
EP-1802598-A2 ASYMMETRIC SYNTHESIS OF DIHYDROBENZOFURAN DERIVATIVES Wyeth a Corporation of the State of Delaware (US) 2007-07-04 EP disclosed
WO-2006047288-A2 ASYMMETRIC SYNTHESIS OF DIHYDROBENZOFURAN DERIVATIVES WYETH (US) 2006-05-04 WO disclosed
US-20060089405-A1 Asymmetric synthesis of dihydrobenzofuran derivatives WYETH (US) 2006-04-27 US disclosed
US-20060046065-A1 Optical unit using plastic lenses FUJI PHOTO FILM CO., LTD. 2006-03-02 US disclosed
EP-0596586-B1 Process for the production of metal complexes of N-beta-hydroxalkyl-tri-N-carboxyalkyl-1,4,7,10-tetraazacyclododecane and derivatives thereof SCHERING AG (DE) 1997-01-22 EP disclosed
US-5410043-A Chemical intermediate for metal complexes SCHERING AKTIENGESELLSCHAFT (DE) 1995-04-25 US disclosed
EP-0596586-A1 Process for the production of metal complexes of N-beta-hydroxalkyl-tri-N-carboxyalkyl-1,4,7,10-tetraazacyclododecane and derivatives thereof SCHERING AKTIENGESELLSCHAFT (DE) 1994-05-11 EP disclosed
EP-0022371-B1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER INC. (US) 1983-01-19 EP disclosed
US-4357332-A 1-BENZYL-4-/2-HYDROXY-3-BENZYLOXYPROPYL/PIPERAZINES PFIZER INC. (US) 1982-11-02 US disclosed
EP-0022371-A1 Substituted piperazines and piperidines and pharmaceutical compositions containing them PFIZER INC. (US) 1981-01-14 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 (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-20060089405-A1 Asymmetric synthesis of dihydrobenzofuran derivatives DHFR, DHODH, DPYD TDP1 2506/4885CHRM2 3710/4885CHRM4 4443/4885

“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.