SCHEMBL5406897

SCHEMBL5406897

O=C1CO[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.41
GAA P10253 3/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.38
CYP19A1 P11511 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
AR P10275 1/20 0.38
MAOB P27338 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA2 P00918 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL14578019 1.00 CYP2C19 (0.46) CYP2C19CYP2C9TSHRGAAALDH1A1
SCHEMBL14612066 1.00 CYP2C19 (0.46) CYP2C19CYP2C9TSHRGAAALDH1A1
SCHEMBL14612067 1.00 CYP2C19 (0.46) CYP2C19CYP2C9TSHRGAAALDH1A1
SCHEMBL8079036 0.79 MEN1 (0.45) CYP2C19CYP2C9TSHRGAAALDH1A1
SCHEMBL8079031 0.79 MEN1 (0.45) CYP2C19CYP2C9TSHRGAAALDH1A1
SCHEMBL8079034 0.79 MEN1 (0.45) CYP2C19CYP2C9TSHRGAAALDH1A1
SCHEMBL22733776 0.74 ALDH1A1 (0.46) CYP2C19CYP2C9TSHRGAAALDH1A1
SCHEMBL22733775 0.74 ALDH1A1 (0.46) CYP2C19CYP2C9TSHRGAAALDH1A1
SCHEMBL980838 0.72 ALDH1A1 (0.45) CYP2C19CYP2C9TSHRGAAALDH1A1
SCHEMBL21553352 0.71 CYP2C19 (0.80) CYP2C19CYP2C9TSHRGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173141-B2 Chiral lactones COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-02-06 US disclosed
US-7173141-B2 Chiral lactones COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-02-06 US disclosed
US-7173141-B2 Chiral lactones COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-02-06 US disclosed
US-20060205816-A1 Chiral lactones COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-09-14 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-20060205816-A1 Chiral lactones HSD11B2, HSD11B1, HSD17B2 CYP2C19 190/4885CYP2C9 218/4885TSHR 3698/4885

“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.