SCHEMBL7977852

SCHEMBL7977852

CCOC(C[C@H](C(=O)OC)C(C)C)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
CA14 Q9ULX7 3/20 0.33
CA12 O43570 2/20 0.33
EPHX1 P07099 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
ABCB1 P08183 1/20 0.30
ALDH1A1 P00352 1/20 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
SCHEMBL188112 1.00 SMN1; SMN2 (0.38) SMN1; SMN2CA14CA12EPHX1CA1
SCHEMBL9785486 0.80 SLC1A3 (0.50) EPHX1LMNASLC1A3SLC1A2SLC1A1
SCHEMBL8357552 0.80 SMN1; SMN2 (0.35) SMN1; SMN2CA14CA12EPHX1CA1
SCHEMBL7977853 0.80 SLC1A3 (0.50) EPHX1LMNASLC1A3SLC1A2SLC1A1
SCHEMBL9785492 0.80 SLC1A3 (0.50) EPHX1LMNASLC1A3SLC1A2SLC1A1
SCHEMBL3687012 0.78 MGAM (0.36) SMN1; SMN2CA14EPHX1CA1CA2
SCHEMBL3684680 0.78 CA1 (0.44) SMN1; SMN2CA14EPHX1CA1CA2
SCHEMBL12868880 0.77 SMN1; SMN2 (0.44) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL5514853 0.77 SMN1; SMN2 (0.44) SMN1; SMN2CA14CA12CA7CA9
SCHEMBL9911582 0.77 SMN1; SMN2 (0.44) SMN1; SMN2CA14CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110244531-A1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES JLL/DELTA DUTCH NEWCO B.V. (NL) 2011-10-06 US disclosed
US-20110244531-A1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES JLL/DELTA DUTCH NEWCO B.V. (NL) 2011-10-06 US disclosed
WO-2010010165-A1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES DSM IP ASSETS BV (NL) 2010-01-28 WO 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-20110244531-A1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES KHK, AGTR2, HK2 SMN1; SMN2 3290/4885CA14 3647/4885CA12 4409/4885

“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.