SCHEMBL4464583

SCHEMBL4464583

c1ccc(CC2CO2)c(COCc2ccccc2CC2CO2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 3/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
CTSB P07858 1/20 0.33
DHFR P00374 1/20 0.33
IDO1 P14902 1/20 0.31
MGLL Q99685 2/20 0.31
CHRM2 P08172 3/20 0.31
CHRM4 P08173 3/20 0.31
CHRM5 P08912 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 0.31

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
SCHEMBL29826970 0.87 TDP1 (0.45) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL6480647 0.87 TDP1 (0.45) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL8660205 0.84 TDP1 (0.50) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL732958 0.82 TDP1 (0.52) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL30607492 0.81 TDP1 (0.41) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL28454337 0.81 TDP1 (0.41) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL28370227 0.78 IDO1 (0.40) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL2675606 0.77 TDP1 (0.41) TDP1ALDH1A1GLAMEN1KMT2A
SCHEMBL9827261 0.77 SLC6A2 (0.40) IDO1
SCHEMBL10643250 0.77 MAPT (0.41) ALDH1A1MEN1KMT2ATSHRTP53

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-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-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 2506/4885ALDH1A1 55/4885GLA 3222/4885

“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.