SCHEMBL6895477

SCHEMBL6895477

CC1(C)O[C@H]2[C@@H](O1)[C@@H](COCc1ccc(N3CCOCC3)cc1)O[C@@H]1OC(C)(C)O[C@@H]12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
RAB9A P51151 2/20 0.34
GAA P10253 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.33
USP2 O75604 2/20 0.33
MAPK1 P28482 3/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 5/20 0.32
KDM4E B2RXH2 3/20 0.32
ALOX15 P16050 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALOX12 P18054 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AGXT P21549 1/20 0.32

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
SCHEMBL6890870 0.81 ALDH1A1 (0.50) ALDH1A1CA2CA1CA9GAA
SCHEMBL6891132 0.80 ALDH1A1 (0.49) ALDH1A1CA2CA1CA9GAA
SCHEMBL6886894 0.80 ALDH1A1 (0.49) ALDH1A1CA2CA1CA9GAA
SCHEMBL1130657 0.80 ALDH1A1 (0.60) ALDH1A1CA2CA1CA9GAA
SCHEMBL19588714 0.80 ALDH1A1 (0.60) ALDH1A1CA2CA1CA9GAA
SCHEMBL2614786 0.80 ALDH1A1 (0.60) ALDH1A1CA2CA1CA9GAA
SCHEMBL10819414 0.80 ALDH1A1 (0.60) ALDH1A1CA2CA1CA9GAA
SCHEMBL2623390 0.80 ALDH1A1 (0.60) ALDH1A1CA2CA1CA9GAA
SCHEMBL6894635 0.75 ALDH1A1 (0.52) ALDH1A1CA2CA1CA9GAA
SCHEMBL24145225 0.74 ALDH1A1 (0.40) ALDH1A1CA2CA1CA9RAB9A

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-6693178-B2 HALOGENATED BENZYL ETHER GALACTOPYRANOSIDE, GLUCOPYRANOSIDE, RIBOFURANOSIDE OR XYLOFURANOSIDE DERIVATIVES; STABLE, EASILY REMOVED MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-02-17 US disclosed
US-20030181690-A1 Protecting groups useful in the synthesis of polysaccharides, natural products, and combinatorial libraries NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-09-25 US disclosed
US-6426421-B1 HALOGENATED BENZYL ETHER-BASED PROTECTING GROUPS FOR FUNCTIONAL GROUPS, OF ALCOHOLS, THIOLS, AMINES, CARBOXYLIC ACIDS, AND PHOSPHORIC ACIDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2002-07-30 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-20030181690-A1 Protecting groups useful in the synthesis of polysaccharides, natural products, and combinatorial libraries FUT5, FUT6, UGCG ALDH1A1 1137/4885CA2 1939/4885CA1 502/4885

“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.