SCHEMBL1800723

SCHEMBL1800723

O=CC[C@H](CCOCc1ccccc1)[C@@H](O)COCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
KMT2A Q03164 1/20 0.43
HTT P42858 2/20 0.42
CYP2C19 P33261 1/20 0.41
FOLH1 Q04609 1/20 0.40
MAPK1 P28482 1/20 0.40
TACR1 P25103 1/20 0.39
SLC1A1 P43005 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL1800722 0.80 CA1 (0.46) CA1CA2CA7CA9KMT2A
SCHEMBL1578413 0.76 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL1578411 0.76 CA1 (0.45) CA1CA2CA7CA9KMT2A
SCHEMBL4832922 0.75 FOLH1 (0.49) CA1CA2CA7CA9KMT2A
SCHEMBL4838067 0.75 FOLH1 (0.49) CA1CA2CA7CA9KMT2A
SCHEMBL3326851 0.75 TSHR (0.44) CA1CA2CA7CA9KMT2A
SCHEMBL3326846 0.75 TSHR (0.44) CA1CA2CA7CA9KMT2A
SCHEMBL27604048 0.75 TSHR (0.44) KMT2AHTTCYP2C19SMN1; SMN2TSHR
SCHEMBL4382418 0.75 CA1 (0.66) CA1CA2CA7CA9KMT2A
SCHEMBL93708 0.75 CA1 (0.66) CA1CA2CA7CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951977-B2 Process for producing hexahydrofurofuranol derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-31 US disclosed
US-20090176999-A1 Process for producing hexahydrofurofuranol derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-09 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-20090176999-A1 Process for producing hexahydrofurofuranol derivative DHFR, DHPS, CYP4B1 CA1 4496/4885CA2 4696/4885CA7 4206/4885

“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.