SCHEMBL3236704

SCHEMBL3236704

C(OCC1CO1)C1CO1.FC(F)C(F)F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
ALDH1A1 P00352 10/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 3/20 0.43
TP53 P04637 4/20 0.34
CYP3A4 P08684 2/20 0.34
HIF1A Q16665 2/20 0.34
GLA P06280 1/20 0.32
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 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
SCHEMBL28416837 0.90 TSHR (0.50) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL4486338 0.86 TSHR (0.62) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL4623846 0.86
SCHEMBL4895623 0.86 TSHR (0.68) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL15245 0.86
SCHEMBL2933673 0.86
SCHEMBL2933671 0.86
SCHEMBL1130097 0.85 TSHR (0.50) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL7874503 0.84 TSHR (0.45) TSHRALDH1A1MAPK1SMN1; SMN2TDP1
SCHEMBL216280 0.83 TSHR (0.65) TSHRALDH1A1MAPK1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072696-A1 SUBSTITUTED 3-HYDROXY-DELTA-LACTONES FROM EPOXIDES NATIONAL SCIENCE FOUNDATION 2018-03-15 US disclosed
US-9676743-B2 Substituted 3-hydroxy-δ-lactones from epoxides CORNELL UNIVERSITY (US) 2017-06-13 US disclosed
US-20140107339-A1 SUBSTITUTED 3-HYDROXY-DELTA-LACTONES FROM EPOXIDES CORNELL UNIVERSITY (US) 2014-04-17 US disclosed
US-8530677-B2 Substituted 3-hydroxy-delta-lactones from epoxides CORNELL UNIVERSITY (US) 2013-09-10 US disclosed
US-20100145046-A1 Substituted 3-hydroxy-delta-lactones from epoxides ENERGY, UNITED STATES DEPARTMENT OF 2010-06-10 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 (3 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-20100145046-A1 Substituted 3-hydroxy-delta-lactones from epoxides EBP, CYP8B1, HSD3B2 TSHR 4202/4885ALDH1A1 319/4885MAPK1 4592/4885
US-20180072696-A1 SUBSTITUTED 3-HYDROXY-DELTA-LACTONES FROM EPOXIDES EBP, CYP8B1, HSD3B2 TSHR 4202/4885ALDH1A1 319/4885MAPK1 4592/4885
US-20140107339-A1 SUBSTITUTED 3-HYDROXY-DELTA-LACTONES FROM EPOXIDES EBP, CYP8B1, HSD3B2 TSHR 4202/4885ALDH1A1 319/4885MAPK1 4592/4885

“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.