SCHEMBL555318

SCHEMBL555318

Cc1ccc(C(C)C)cc1OC(=O)CO

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.59
BCHE P06276 3/20 0.56
ACHE P22303 3/20 0.56

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
SCHEMBL248727 0.87 ACHE (0.60) TYRBCHEACHE
SCHEMBL29910762 0.85 TYR (0.58) TYRBCHEACHE
SCHEMBL22753268 0.85 TYR (0.58) TYRBCHEACHE
SCHEMBL19919422 0.85 TYR (0.58) TYRBCHEACHE
SCHEMBL22580481 0.85 TYR (0.58) TYRBCHEACHE
SCHEMBL249211 0.84 TYR (0.56) TYRBCHEACHE
SCHEMBL247416 0.83 ACHE (0.56) TYRBCHEACHE
SCHEMBL29724033 0.83 ACHE (0.56) TYRBCHEACHE
SCHEMBL23707019 0.83 TYR (0.55) TYRBCHEACHE
SCHEMBL30464879 0.83 TYR (0.55) TYRBCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035224-A1 Betulin derived compounds as anti-feedants for plant pests VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2012-02-09 US disclosed
US-20100273801-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS Valition teknillinen tutikimuskeskus (FI) 2010-10-28 US disclosed
US-20100196290-A1 COMPOSITIONS COMPRISING BETULONIC ACID VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2010-08-05 US disclosed
US-20100190795-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2010-07-29 US disclosed
EP-2037872-A2 COMPOSITIONS COMPRISING BETULONIC ACID Valtion Teknillinen Tutkimuskeskus (FI) 2009-03-25 EP disclosed
EP-2024385-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS Valtion Teknillinen Tutkimuskeskus (FI) 2009-02-18 EP disclosed
EP-2024384-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS Valtion Teknillinen Tutkimuskeskus (FI) 2009-02-18 EP disclosed
EP-2023730-A1 BETULIN DERIVED COMPOUNDS AS ANTI-FEEDANTS FOR PLANT PESTS Valtion Teknillinen Tutkimuskeskus (FI) 2009-02-18 EP disclosed
WO-2007141383-A9 BETULIN DERIVED COMPOUNDS AS ANTI-FEEDANTS FOR PLANT PESTS VALTION TEKNILLINEN (FI) 2008-07-17 WO disclosed
WO-2007141391-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 WO disclosed
WO-2007141390-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIVIRAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 WO disclosed
WO-2007141392-A2 COMPOSITIONS COMPRISING BETULONIC ACID VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 WO disclosed
WO-2007141389-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 WO disclosed
WO-2007141383-A1 BETULIN DERIVED COMPOUNDS AS ANTI-FEEDANTS FOR PLANT PESTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2007-12-13 WO 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 (4 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-20120035224-A1 Betulin derived compounds as anti-feedants for plant pests BET1, BTF3, BROX TYR 2120/4885BCHE 114/4885ACHE 116/4885
US-20100196290-A1 COMPOSITIONS COMPRISING BETULONIC ACID BET1, PGGT1B, RABGGTB TYR 7/4885BCHE 175/4885ACHE 675/4885
US-20100273801-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS BET1, CUTA, BECN1 TYR 544/4885BCHE 1051/4885ACHE 3590/4885
US-20100190795-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS BET1, BECN1, PGGT1B TYR 1709/4885BCHE 859/4885ACHE 1899/4885

“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.