SCHEMBL3319645

SCHEMBL3319645

COc1ccc(COC[C@H]2O[C@@H](Sc3ccc(C)cc3)[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.38
NT5E P21589 1/20 0.37
PTPN2 P17706 2/20 0.37
PTPN6 P29350 2/20 0.37
PTPN11 Q06124 2/20 0.37
LGALS9 O00182 3/20 0.36
LGALS1 P09382 3/20 0.36
LGALS3 P17931 3/20 0.36
LGALS7; LGALS7B P47929 2/20 0.35
LGALS8 O00214 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA5A P35218 2/20 0.34
CA7 P43166 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
TACR2 P21452 1/20 0.34
HRAS P01112 1/20 0.34
GAPDH P04406 1/20 0.34

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
SCHEMBL4421042 0.83 LGALS3 (0.50) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL7027211 0.81 CA1 (0.42) PTPN1LGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL24672150 0.80 NT5E (0.52) PTPN1NT5EPTPN2PTPN6PTPN11
SCHEMBL7026503 0.79 LGALS3 (0.38) PTPN1NT5ELGALS9LGALS1LGALS3
SCHEMBL17073909 0.78 LGALS9 (0.40) PTPN1PTPN2PTPN11LGALS9LGALS1
SCHEMBL17889788 0.77 LGALS3 (0.46) NT5ELGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL21076164 0.77 LGALS3 (0.46) NT5ELGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL17889789 0.77 LGALS3 (0.46) NT5ELGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL17897127 0.77 LGALS3 (0.46) NT5ELGALS9LGALS1LGALS3LGALS7; LGALS7B
SCHEMBL7024119 0.77 NT5E (0.43) PTPN1NT5EPTPN2PTPN6PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338387-B2 Small molecule stimulators of neuronal growth CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-12-25 US disclosed
US-20100075920-A1 SMALL MOLECULE STIMULATORS OF NEURONAL GROWTH NATIONAL SCIENCE FOUNDATION 2010-03-25 US disclosed
US-7638503-B2 Small molecule stimulators of neuronal growth CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-12-29 US disclosed
US-20060025379-A1 Small molecule stimulators of neuronal growth CALIFORNIA INSTITUTE OF TECHNOLOGY 2006-02-02 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-20060025379-A1 Small molecule stimulators of neuronal growth BDNF, GAP43, NGF PTPN1 4118/4885NT5E 3124/4885PTPN2 3735/4885
US-20100075920-A1 SMALL MOLECULE STIMULATORS OF NEURONAL GROWTH BDNF, GAP43, NGF PTPN1 4118/4885NT5E 3124/4885PTPN2 3735/4885

“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.