SCHEMBL12604129

SCHEMBL12604129

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)CCc3ccc(OC(=O)C=O)cc3)c(C)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
THRB P10828 3/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MAPT P10636 4/20 0.36
PPARG P37231 2/20 0.35
P2RY10 O00398 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34

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
SCHEMBL816206 0.96 THRB (0.40) HTTTHRBNPC1LMNASMN1; SMN2
SCHEMBL20110406 0.95 MAPT (0.40) HTTTHRBNPC1LMNASMN1; SMN2
SCHEMBL12893470 0.93 THRB (0.41) HTTTHRBNPC1LMNASMN1; SMN2
SCHEMBL20117326 0.92 KMT2A (0.44) HTTTHRBMAPTPPARGKMT2A
SCHEMBL12650421 0.91 MAPT (0.43) HTTTHRBSMN1; SMN2MAPTCYP3A4
SCHEMBL20110402 0.90 MAPT (0.37) HTTTHRBNPC1LMNASMN1; SMN2
SCHEMBL24937951 0.89 THRB (0.43) HTTTHRBNPC1LMNASMN1; SMN2
SCHEMBL25767943 0.89 HTT (0.41) HTTTHRBNPC1LMNASMN1; SMN2
SCHEMBL22430188 0.88 THRB (0.45) HTTTHRBNPC1LMNASMN1; SMN2
SCHEMBL14000686 0.88 THRB (0.45) HTTTHRBNPC1LMNASMN1; SMN2

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-8512597-B2 Polymerizable optically active imide compound and polymerizable composition containing the compound ADEKA CORPORATION (JP) 2013-08-20 US disclosed
US-20110108765-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND ADEKA CORPORATION (JP) 2011-05-12 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-20110108765-A1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND H1-4, XPO4, F12 HTT 3538/4885THRB 4794/4885NPC1 3589/4885

“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.