SCHEMBL7030449

SCHEMBL7030449

COC(=O)C(COC(=O)OCCC(C)CCc1ccccc1)NC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CACNA1C Q13936 1/20 0.48
SCN9A Q15858 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
CPA1 P15085 4/20 0.44
CPA2 P48052 4/20 0.44
CPA4 Q9UI42 4/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL13047077 0.84 TSHR (0.50) ALDH1A1SMN1; SMN2MEN1HTTKMT2A
SCHEMBL7032102 0.83 CTSL (0.50)
SCHEMBL2633272 0.78 CPA1 (0.56) CA12CA1CA2CA3CA4
SCHEMBL7030463 0.78 IDO1 (0.52) SMN1; SMN2
SCHEMBL27556300 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1HTTKMT2A
SCHEMBL6559718 0.77 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1HTTKMT2A
SCHEMBL8226798 0.76 CA12 (0.51) CA12CA1CA2CA3CA4
SCHEMBL720665 0.76 CA12 (0.51) CA12CA1CA2CA3CA4
SCHEMBL715466 0.76 CA12 (0.51) CA12CA1CA2CA3CA4
SCHEMBL31149440 0.75 SMN1; SMN2 (0.51) SMN1; SMN2MEN1HTTKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6569411-B2 Deodoring, microbiocides, marking odors THE GILLETTE COMPANY 2003-05-27 US disclosed
US-20030018055-A1 Serine carbonates FRATER GEORGE (CH) 2003-01-23 US disclosed
EP-1053223-A1 SERINE CARBONATES Givaudan SA (CH) 2000-11-22 EP disclosed
WO-2000034232-A1 SERINE CARBONATES GIVAUDAN SA (CH) 2000-06-15 WO disclosed
EP-1008587-A1 Serine carbonates Givaudan Roure (International) S.A. (CH) 2000-06-14 EP 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-20030018055-A1 Serine carbonates SRR, ME1, TASP1 CA12 744/4885CA1 288/4885CA2 74/4885

“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.