SCHEMBL12585271

SCHEMBL12585271

C[C@@H]1C(OC(=O)c2ccccc2)[C@H](Sc2ccccc2)OC(CO)[C@@H]1C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LGALS9 O00182 6/20 0.57
LGALS1 P09382 6/20 0.57
LGALS3 P17931 6/20 0.57
LGALS7; LGALS7B P47929 5/20 0.57
LGALS8 O00214 3/20 0.44
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA4 P22748 3/20 0.43
CA5A P35218 3/20 0.43
CA7 P43166 3/20 0.43
CA5B Q9Y2D0 3/20 0.43
RNASE1 P07998 1/20 0.37
SELP P16109 3/20 0.36

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
SCHEMBL12136352 0.91 LGALS3 (0.64) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL18942028 0.88 LGALS9 (0.62) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL9116172 0.86 LGALS9 (0.60) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL17154133 0.85 LGALS3 (0.60) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL17154143 0.85 LGALS3 (0.60) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL22821460 0.84 POLB (0.48) LGALS9LGALS1LGALS3LGALS7; LGALS7BCA12
SCHEMBL12585272 0.83 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL18067750 0.82 LGALS9 (0.44) LGALS9LGALS1LGALS3LGALS7; LGALS7BCA12
SCHEMBL27421786 0.82 LGALS9 (0.43) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL19726119 0.82 LGALS3 (0.54) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8

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-20150166594-A1 MOENOMYCIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-06-18 US disclosed
US-20110136759-A1 MOENOMYCIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-09 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 (2 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-20150166594-A1 MOENOMYCIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF MSN, MGAM, NISCH LGALS9 4262/4885LGALS1 4621/4885LGALS3 4497/4885
US-20110136759-A1 MOENOMYCIN ANALOGS, METHODS OF SYNTHESIS, AND USES THEREOF MSN, MGAM, NISCH LGALS9 4262/4885LGALS1 4621/4885LGALS3 4497/4885

“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.