SCHEMBL20968331

SCHEMBL20968331

C[C@H]1C(=O)OC(=O)C2CC(=O)OC(=O)CC21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
PPM1B O75688 1/20 0.30
LMNA P02545 1/20 0.30
PPP1CC P36873 1/20 0.30
TFPI2 P48307 1/20 0.30
RAB9A P51151 1/20 0.30
PPP5C P53041 1/20 0.30
PPP1CA P62136 1/20 0.30
PMP22 Q01453 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TP53 P04637 1/20 0.30
CYP2D6 P10635 1/20 0.30
NFKB1 P19838 1/20 0.30
THPO P40225 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
SCHEMBL21480437 0.94 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL19222987 0.76 SMN1; SMN2 (0.34) SMN1; SMN2KDM4EGMNNPPM1BLMNA
SCHEMBL15358752 0.76 SMN1; SMN2 (0.34) SMN1; SMN2KDM4EGMNNPPM1BLMNA
SCHEMBL13892390 0.76 SMN1; SMN2 (0.34) SMN1; SMN2KDM4EGMNNPPM1BLMNA
SCHEMBL2135244 0.73 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL114258 0.70 TSHR (0.35) SMN1; SMN2KDM4EGMNNPPM1BLMNA
SCHEMBL18807102 0.70 TSHR (0.35) SMN1; SMN2KDM4EGMNNPPM1BLMNA
SCHEMBL15780501 0.70 TSHR (0.35) SMN1; SMN2KDM4EGMNNPPM1BLMNA
SCHEMBL15786373 0.70 TSHR (0.35) SMN1; SMN2KDM4EGMNNPPM1BLMNA
SCHEMBL18537682 0.70 TSHR (0.35) SMN1; SMN2KDM4EGMNNPPM1BLMNA

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-10968392-B2 Liquid crystal aligning agent for photoalignment, liquid crystal alignment film and liquid crystal display device using it, and diamine and polymer JNC CORPORATION (JP) 2021-04-06 US disclosed
US-20190127643-A1 LIQUID CRYSTAL ALIGNING AGENT FOR PHOTOALIGNMENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE USING IT, AND DIAMINE AND POLYMER JNC CORPORATION (JP) 2019-05-02 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-10968392-B2 Liquid crystal aligning agent for photoalignment, liquid crystal alignment film and liquid crystal display device using it, and diamine and polymer DDT, DCLRE1A, DVL1 SMN1; SMN2 3082/4885KDM4E 1412/4885GMNN 2665/4885

“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.