SCHEMBL21135291

SCHEMBL21135291

COC(=O)CCC(=O)OCC1COC(C)(C)O1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HTR7 P34969 1/20 0.34
DGAT1 O75907 1/20 0.34
APP P05067 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
SCHEMBL19301013 0.94 CA2 (0.53) CA2ALDH1A1LMNAPOLBNPSR1
SCHEMBL21135321 0.89 CA2 (0.49) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL1514211 0.89 CA2 (0.49) CA2ALDH1A1LMNAPOLBNPSR1
SCHEMBL15455407 0.88 ALDH1A1 (0.50) CA2ALDH1A1LMNAPOLBTMEM97
SCHEMBL21135532 0.88 CA2 (0.50) CA2LMNAPOLB
SCHEMBL9080283 0.88 CA2 (0.50) CA2LMNAPOLB
SCHEMBL3685538 0.87 CA2 (0.53) CA2ALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL9106303 0.87 CA2 (0.47) CA2ALDH1A1LMNAPOLBNPSR1
SCHEMBL2297204 0.86 CA2 (0.49) CA2LMNAPOLB
SCHEMBL3188329 0.84 CA2 (0.50) CA2ALDH1A1NPSR1TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190194157-A1 COALESCING AGENT DERIVED FROM DIOXOLANE DERIVATIVES PTT GLOBAL CHEMICAL PUBLIC COMPANY LIMITED (TH) 2019-06-27 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-20190194157-A1 COALESCING AGENT DERIVED FROM DIOXOLANE DERIVATIVES ITCH, RNF168, DCTN1 CA2 3668/4885TSHR 3672/4885ALDH1A1 1248/4885

“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.