SCHEMBL21135532

SCHEMBL21135532

CC1(C)OCC(COC(=O)CCCCC(=O)OCC2COC(C)(C)O2)O1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
LPAR1 Q92633 3/20 0.41
LPAR3 Q9UBY5 3/20 0.41
ENPP2 Q13822 2/20 0.40
MGLL Q99685 2/20 0.40

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
SCHEMBL9080283 0.97 CA2 (0.50) CA2LMNAPOLBLPAR1LPAR3
SCHEMBL21136085 0.94 CA2 (0.46) CA2LMNAPOLBLPAR1LPAR3
SCHEMBL19301013 0.93 CA2 (0.53) CA2LMNAPOLB
SCHEMBL6805094 0.93 LPAR1 (0.51) LPAR1LPAR3ENPP2
SCHEMBL31520002 0.93 LPAR1 (0.51) LPAR1LPAR3ENPP2
SCHEMBL5936343 0.93 LPAR1 (0.51) LPAR1LPAR3ENPP2
SCHEMBL8277024 0.93 LPAR1 (0.51) LPAR1LPAR3ENPP2
SCHEMBL13047224 0.92 CA2 (0.47) CA2LMNAPOLBLPAR1LPAR3
SCHEMBL9080280 0.91 CA2 (0.46) CA2LMNAPOLBMGLL
SCHEMBL2297204 0.89 CA2 (0.49) CA2LMNAPOLBLPAR1LPAR3

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 3668/4885LMNA 2708/4885POLB 1391/4885

“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.