SCHEMBL21135305

SCHEMBL21135305

CCC1(C)OCC(COC(=O)CCCCC(=O)OCC2COC(C)(CC)O2)O1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.41
LPAR1 Q92633 3/20 0.41
LPAR3 Q9UBY5 3/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
ENPP2 Q13822 2/20 0.40
MGLL Q99685 1/20 0.38

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
SCHEMBL21135290 0.96 CTDSP1 (0.47) CTDSP1LPAR1LPAR3LMNAPOLB
SCHEMBL21136083 0.94 CTDSP1 (0.43) CTDSP1LPAR1LPAR3LMNAPOLB
SCHEMBL21135289 0.89 CTDSP1 (0.40) CTDSP1LPAR1LPAR3LMNAPOLB
SCHEMBL3948424 0.85 LPAR1 (0.48) LPAR1LPAR3ENPP2
SCHEMBL25987173 0.84 CTDSP1 (0.42) CTDSP1LMNA
SCHEMBL21135532 0.83 CA2 (0.50) LPAR1LPAR3LMNAPOLBENPP2
SCHEMBL19652559 0.83 LPAR1 (0.46) LPAR1LPAR3ENPP2
SCHEMBL12253260 0.83 CTDSP1 (0.44) CTDSP1LPAR1LPAR3LMNAPOLB
SCHEMBL19652556 0.82 PRKCA (0.43) LPAR1LPAR3ENPP2
SCHEMBL17772555 0.82 LPAR1 (0.46) CTDSP1LPAR1LPAR3ENPP2

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 CTDSP1 2457/4885LPAR1 152/4885LPAR3 349/4885

“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.