SCHEMBL11903395

SCHEMBL11903395

CC1OC(C)(C)OCC1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 7/20 0.33
HCRTR1 O43613 6/20 0.33
TMEM97 Q5BJF2 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
CA2 P00918 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
APLNR P35414 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
TBXA2R P21731 1/20 0.30

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
SCHEMBL28166201 0.82 CA2 (0.31) HCRTR2HCRTR1TMEM97SIGMAR1CA2
SCHEMBL28304852 0.81 CA2 (0.33) CA2
SCHEMBL15795509 0.76 HCRTR1 (0.31) HCRTR2HCRTR1TMEM97SIGMAR1
SCHEMBL1030224 0.72 HCRTR2 (0.39) HCRTR2HCRTR1TMEM97SIGMAR1CA2
SCHEMBL2038232 0.72 HCRTR2 (0.39) HCRTR2HCRTR1TMEM97SIGMAR1CA2
Bicarbonate SCHEMBL7042448 0.72 HCRTR2 (0.36) HCRTR2HCRTR1TMEM97SIGMAR1CA2
SCHEMBL1030223 0.72 HCRTR2 (0.39) HCRTR2HCRTR1TMEM97SIGMAR1CA2
SCHEMBL5310871 0.72 HCRTR2 (0.33) HCRTR2HCRTR1TMEM97SIGMAR1CA2
SCHEMBL16280834 0.72 HCRTR2 (0.33) HCRTR2HCRTR1TMEM97SIGMAR1CA2
SCHEMBL18302598 0.72 CA2 (0.33) HCRTR2HCRTR1TMEM97SIGMAR1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108948045-A A kind of preparation method of tesirolimus 鲁南制药集团股份有限公司 2018-12-07 CN claimed
US-8754207-B2 Process for the preparation of rapamycin derivatives CADILA HEALTHCARE LIMITED (IN) 2014-06-17 US disclosed
US-20120202988-A1 PROCESS FOR THE PREPARATION OF RAPAMYCIN DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2012-08-09 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-20120202988-A1 PROCESS FOR THE PREPARATION OF RAPAMYCIN DERIVATIVES RICTOR, MTOR, RPTOR HCRTR2 2893/4885HCRTR1 2908/4885TMEM97 1608/4885

“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.