SCHEMBL1139458

SCHEMBL1139458

CC(C)(C)OC(=O)[C@H]1CC[C@@H](O)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
HRH3 Q9Y5N1 1/20 0.41
BTK Q06187 1/20 0.37
MAPK1 P28482 1/20 0.34
HPGD P15428 1/20 0.33
CYP3A4 P08684 4/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PREP P48147 1/20 0.32
RECQL P46063 1/20 0.32
JAK1 P23458 2/20 0.31
JAK2 O60674 1/20 0.31
NR1H2 P55055 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 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
SCHEMBL9651542 1.00 CHRM2 (0.44) CHRM2CHRM1CHRM3HRH3BTK
SCHEMBL26999357 1.00 CHRM2 (0.44) CHRM2CHRM1CHRM3HRH3BTK
SCHEMBL11920529 0.89 BTK (0.45) CHRM2CHRM1CHRM3HRH3BTK
SCHEMBL19465321 0.89 BTK (0.45) CHRM2CHRM1CHRM3HRH3BTK
SCHEMBL4892934 0.88 HRH3 (0.46) CHRM2CHRM1CHRM3HRH3BTK
SCHEMBL603521 0.88 HRH3 (0.46) CHRM2CHRM1CHRM3HRH3BTK
SCHEMBL603520 0.88 HRH3 (0.46) CHRM2CHRM1CHRM3HRH3BTK
Ammonia Solution, Strong SCHEMBL20740067 0.86 HRH3 (0.45) CHRM2CHRM1CHRM3HRH3BTK
SCHEMBL3958434 0.85 CHRM2 (0.48) CHRM2CHRM1CHRM3HRH3BTK
SCHEMBL1965621 0.85 CHRM2 (0.48) CHRM2CHRM1CHRM3HRH3BTK

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-20230295197-A1 STAT5 and STAT6 Degraders and Uses Thereof REGENTS OF THE UNIV OF MICHICAN (US) 2023-09-21 US disclosed
EP-2440521-B1 NOVEL CYCLOPENTANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-04-30 EP disclosed
US-7893099-B2 Cyclopentane derivatives HOFFMAN-LA ROCHE INC. (US) 2011-02-22 US disclosed
US-20100317647-A1 NOVEL CYCLOPENTANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 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-20230295197-A1 STAT5 and STAT6 Degraders and Uses Thereof STAT6, STAT5B, STAT5A CHRM2 3596/4885CHRM1 3913/4885CHRM3 4227/4885
US-20100317647-A1 NOVEL CYCLOPENTANE DERIVATIVES TBXA2R, ADORA1, CNR1 CHRM2 74/4885CHRM1 17/4885CHRM3 372/4885

“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.