SCHEMBL20193586

SCHEMBL20193586

C[C@@H](COCc1ccccc1)C[C@](C)(O)[C@H]1COC(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.36
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
KLK7 P49862 2/20 0.34
KLK5 Q9Y337 2/20 0.34
CASR P41180 1/20 0.33
PPARA Q07869 1/20 0.32
GHSR Q92847 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
SCHEMBL22956868 1.00 CA1 (0.36) CA1TMEM97SIGMAR1CA2CA7
SCHEMBL20193587 0.87 TMEM97 (0.34) CA1TMEM97SIGMAR1CA2CA7
SCHEMBL24489826 0.87 TMEM97 (0.34) CA1TMEM97SIGMAR1CA2CA7
SCHEMBL16149640 0.81 SMYD2 (0.39) HTT
SCHEMBL16149641 0.81 SMYD2 (0.39) HTT
SCHEMBL16155262 0.77 SMN1; SMN2 (0.31)
SCHEMBL24489831 0.74 KMT2A (0.36) CA1TMEM97SIGMAR1CA2CA7
SCHEMBL5346178 0.73 TMEM97 (0.38) TMEM97SIGMAR1
SCHEMBL5352170 0.73 TMEM97 (0.38) TMEM97SIGMAR1
SCHEMBL15451431 0.72 HTT (0.46) CA1TMEM97SIGMAR1CA2CA7

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-10913764-B2 Macrolides and methods of their preparation and use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-02-09 US disclosed
US-9982005-B2 Macrolides and methods of their preparation and use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-05-29 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-10913764-B2 Macrolides and methods of their preparation and use CYP11B2, ERG28, DHCR7 CA1 4869/4885TMEM97 3875/4885SIGMAR1 3025/4885

“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.