SCHEMBL6480813

SCHEMBL6480813

O=C1OCCC1[C@@H](O)COCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL4833311 1.00 MEN1 (0.46) MEN1CYP1A2KMT2AHTTCA1
SCHEMBL4833417 1.00 MEN1 (0.46) MEN1CYP1A2KMT2AHTTCA1
SCHEMBL2532757 1.00 MEN1 (0.46) MEN1CYP1A2KMT2AHTTCA1
SCHEMBL4841239 1.00 MEN1 (0.46) MEN1CYP1A2KMT2AHTTCA1
SCHEMBL12223219 0.82 HTT (0.43) HTTCA1CA2CA7CA9
SCHEMBL20530471 0.79 CA1 (0.50) MEN1KMT2AHTTCA1CA2
SCHEMBL20530469 0.79 CA1 (0.50) MEN1KMT2AHTTCA1CA2
SCHEMBL20530467 0.79 CA1 (0.50) MEN1KMT2AHTTCA1CA2
SCHEMBL20530465 0.79 CA1 (0.50) MEN1KMT2AHTTCA1CA2
SCHEMBL20530473 0.79 CA1 (0.50) MEN1KMT2AHTTCA1CA2

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-6867321-B2 Production method of hexahydrofurofuranol derivative, intermediate therefor and production method thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-03-15 US disclosed
US-20040162340-A1 Production method of hexahydrofurofuranol derivative, intermediate therefor and production method thereof SUMIKA FINE CHEMICALS CO., LTD. (JP) 2004-08-19 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-20040162340-A1 Production method of hexahydrofurofuranol derivative, intermediate therefor and production method thereof CYP4F11, CYP51A1, CYP4A11 MEN1 2907/4885CYP1A2 101/4885KMT2A 3752/4885

“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.