SCHEMBL6936580

SCHEMBL6936580

CCCCO[C@H]1CC[C@@H](CO)O1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.36
PPP5C P53041 1/20 0.35
GBA2 Q9HCG7 4/20 0.34
GBA1 P04062 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL30569966 0.83 PTAFR (0.45) PTAFRGBA2GBA1ALDH1A1TDP1
SCHEMBL3027705 0.82 SMN1; SMN2 (0.43) PTAFRSMN1; SMN2TSHRPPP5CGBA1
SCHEMBL11475214 0.81 PTAFR (0.32) PTAFR
SCHEMBL11475212 0.81 PTAFR (0.32) PTAFR
SCHEMBL23031938 0.79 PTAFR (0.39) PTAFR
SCHEMBL14568714 0.78 PPP5C (0.38) SMN1; SMN2TSHRPPP5CGBA2GBA1
SCHEMBL14440527 0.78 PPP5C (0.38) SMN1; SMN2TSHRPPP5CGBA2GBA1
SCHEMBL28047584 0.78 PTAFR (0.31) PTAFR
SCHEMBL13350522 0.76 SMN1; SMN2 (0.58) SMN1; SMN2TSHRGBA2GBA1ALDH1A1
SCHEMBL7927479 0.75 TSHR (0.45) SMN1; SMN2TSHRGBA2GBA1

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-8212012-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE UNIVERSITY OF KANSAS (US) 2011-04-07 US disclosed
US-7622451-B2 Novobiocin analogues as neuroprotective agents and in the treatment of autoimmune disorders UNIVERSITY OF KANSAS (US) 2009-11-24 US disclosed
US-7608594-B2 Novobiocin analogues as anticancer agents UNIVERSITY OF KANSAS (US) 2009-10-27 US disclosed
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-25 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-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties HSP90AB1, HSP90B1, HSP90AB2P PTAFR 4384/4885SMN1; SMN2 1937/4885TSHR 2801/4885
US-20110082098-A1 NOVOBIOCIN ANALOGUES AND TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, HSP90B1 PTAFR 837/4885SMN1; SMN2 4743/4885TSHR 4176/4885

“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.