SCHEMBL19777737

SCHEMBL19777737

CC(C)(CC(C)(C)Oc1ccc(C=O)c(B2OC(C)(C)C(C)(C)O2)c1)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.36
▸ HTR2B P41595 1/20 0.30
▸ TMEM97 Q5BJF2 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30
▸ MCHR1 Q99705 1/20 0.30
▸ SNCA P37840 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30

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
SCHEMBL20607798 0.82 DGAT1 (0.48) DGAT1HTR2BTMEM97SIGMAR1MAOA
SCHEMBL19647535 0.79 MAPT (0.36) MCHR1MAOAMAOB
SCHEMBL13035523 0.79 DGAT1 (0.43) DGAT1HTR2BTMEM97SIGMAR1MAOA
SCHEMBL19647565 0.78 SNCA (0.32) SNCA
SCHEMBL3445787 0.78 DGAT1 (0.40) DGAT1HTR2BTMEM97SIGMAR1MAOA
SCHEMBL1135226 0.77 MAOB (0.46) DGAT1HTR2BTMEM97SIGMAR1MAOA
SCHEMBL3446635 0.76 DGAT1 (0.40) DGAT1HTR2BTMEM97SIGMAR1MAOA
SCHEMBL1135188 0.75 ERN1 (0.40) MAOAMAOB
SCHEMBL19519621 0.75 DGAT1 (0.37) DGAT1MAOB
SCHEMBL24266097 0.74 LIPE (0.40) SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016285-A1 Boron-Containing Small Molecules ANACOR PHARMACEUTICALS, LLC 2018-01-18 — — 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-20180016285-A1 Boron-Containing Small Molecules BCL6B, BLVRB, BCL6 DGAT1 3618/4885HTR2B 4714/4885TMEM97 1818/4885

“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.

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