SCHEMBL3229790

SCHEMBL3229790

CC(C)(C)[Si](C)(C)OCC(O)CC1CO1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL4420207 0.79 MAPK1 (0.32) MAPK1
SCHEMBL12300321 0.74
SCHEMBL27783095 0.74 TSHR (0.40) ALDH1A1TSHRMAPK1
SCHEMBL2962445 0.74 TSHR (0.32) TSHR
SCHEMBL9428149 0.74 USP2 (0.34) ALDH1A1TSHRMAPK1
SCHEMBL17048382 0.74 USP2 (0.34) ALDH1A1TSHRMAPK1
SCHEMBL1628831 0.74 TSHR (0.32) TSHR
SCHEMBL1783303 0.74
SCHEMBL17048264 0.74 USP2 (0.34) ALDH1A1TSHRMAPK1
SCHEMBL5241702 0.74 KDM4E (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676743-B2 Substituted 3-hydroxy-δ-lactones from epoxides CORNELL UNIVERSITY (US) 2017-06-13 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-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-8530677-B2 Substituted 3-hydroxy-delta-lactones from epoxides CORNELL UNIVERSITY (US) 2013-09-10 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
US-20100145046-A1 Substituted 3-hydroxy-delta-lactones from epoxides ENERGY, UNITED STATES DEPARTMENT OF 2010-06-10 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 (2 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 ALDH1A1 319/4885TSHR 4202/4885MAPK1 4592/4885
US-20140107339-A1 SUBSTITUTED 3-HYDROXY-DELTA-LACTONES FROM EPOXIDES EBP, CYP8B1, HSD3B2 ALDH1A1 319/4885TSHR 4202/4885MAPK1 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.