SCHEMBL9604157

SCHEMBL9604157

CCCCOC(=O)CC[C@@]1(C)OC[C@H]2OC[C@H](O)[C@H]2O1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 5/20 0.35
EPHX2 P34913 3/20 0.33
DGKA P23743 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ASGR1 P07306 1/20 0.32
HTR2C P28335 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
SCHEMBL9604149 1.00 PRKCA (0.35) PRKCAEPHX2DGKAALDH1A1ASGR1
SCHEMBL9604155 1.00 PRKCA (0.35) PRKCAEPHX2DGKAALDH1A1ASGR1
SCHEMBL9604190 1.00 PRKCA (0.35) PRKCAEPHX2DGKAALDH1A1ASGR1
SCHEMBL9604152 1.00 PRKCA (0.35) PRKCAEPHX2DGKAALDH1A1ASGR1
SCHEMBL9604129 0.88 CTDSP1 (0.40) ALDH1A1
SCHEMBL9604148 0.88 CTDSP1 (0.40) ALDH1A1
SCHEMBL9604186 0.88 CTDSP1 (0.40) ALDH1A1
SCHEMBL9604119 0.88 CTDSP1 (0.40) ALDH1A1
SCHEMBL9604121 0.88 CTDSP1 (0.40) ALDH1A1
SCHEMBL9604153 0.88 CTDSP1 (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157560-A1 KETAL ESTERS OF ANHYDROPENTITOLS AND USES THEREOF XL TERRA, INC. (US) 2012-06-21 US disclosed
US-20120136070-A1 KETAL ESTERS OF ANHYDROPENTITOLS AND USES THEREOF XL TERRA, INC. (US) 2012-05-31 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-20120136070-A1 KETAL ESTERS OF ANHYDROPENTITOLS AND USES THEREOF KHK, HKDC1, HK2 PRKCA 1744/4885EPHX2 304/4885DGKA 297/4885
US-20120157560-A1 KETAL ESTERS OF ANHYDROPENTITOLS AND USES THEREOF KHK, HKDC1, HK2 PRKCA 1744/4885EPHX2 304/4885DGKA 297/4885

“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.