SCHEMBL17036893

SCHEMBL17036893

COP(=O)(OC)OCCCCSC(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CYP3A4 P08684 1/20 0.33
LPAR3 Q9UBY5 3/20 0.30
LPAR1 Q92633 2/20 0.30
LPAR2 Q9HBW0 2/20 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
SCHEMBL15833400 0.97 CA12 (0.37) CA12CA1CA2CA9CYP3A4
SCHEMBL17036888 0.95 CA12 (0.37) CA12CA1CA2CA9CYP3A4
SCHEMBL17036885 0.88 CA12 (0.44) CA12CA1CA2CA9
SCHEMBL15833170 0.85 CA12 (0.44) CA12CA1CA2CA9
SCHEMBL19315879 0.83 CA12 (0.33) CA12CA1CA2CA9LPAR3
SCHEMBL19206446 0.83 LPAR3 (0.35) CA12CA1CA2CA9LPAR3
SCHEMBL17036889 0.81 CYP3A4 (0.36) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL17036887 0.80 CYP3A4 (0.39) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL15833396 0.79 CA12 (0.41) CA12CA1CA2CA9CYP3A4
SCHEMBL26414408 0.79 CA12 (0.33) CA12CA1CA2CA9

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-9950001-B2 Polynucleotides having bioreversible groups THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-24 US disclosed
US-20150238516-A1 POLYNUCLEOTIDES HAVING BIOREVERSIBLE GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-08-27 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-20150238516-A1 POLYNUCLEOTIDES HAVING BIOREVERSIBLE GROUPS RNASE1, NCL, LNPEP CA12 792/4885CA1 1625/4885CA2 621/4885

“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.