SCHEMBL9219661

SCHEMBL9219661

CCC(=O)CC(C)(C)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
DGAT1 O75907 1/20 0.37
PRSS1 P07477 1/20 0.30
CTSG P08311 1/20 0.30
CTRB1 P17538 1/20 0.30
CMA1 P23946 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
SCHEMBL9457634 0.80 DGAT1 (0.35) DGAT1
SCHEMBL1981796 0.79 DGAT1 (0.38) DGAT1
SCHEMBL9736129 0.78 TDP1 (0.36) TDP1DGAT1
SCHEMBL9457675 0.77 DGAT1 (0.33) DGAT1
SCHEMBL161121 0.76 HMGCR (0.46) TDP1DGAT1PRSS1CTSGCTRB1
SCHEMBL9736050 0.76 GAA (0.40) TDP1DGAT1
SCHEMBL667169 0.76 TSHR (0.43) DGAT1PRSS1CTSGCTRB1CMA1
SCHEMBL47401 0.75
SCHEMBL17082617 0.75 DGAT1 (0.32) DGAT1
SCHEMBL8490035 0.75 DGAT1 (0.32) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303058-B2 Betulonic and betulinic acid derivatives Leunis, Jean-Claude (BE) 2016-04-05 US disclosed
US-20140066416-A1 BETULONIC AND BETULINIC ACID DERIVATIVES Leunis, Jean-Claude (BE) 2014-03-06 US disclosed
US-8586569-B2 Betulonic and betulinic acid derivatives Leunis, Jean-Claude (BE) 2013-11-19 US disclosed
US-20090068257-A1 BETULONIC AND BETULINIC ACID DERIVATIVES JEAN-CLAUDE LEUNIS (BE) 2009-03-12 US disclosed
EP-0419049-B1 (Quinolin-2-ylmethoxy) indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA INC (CA) 1995-04-12 EP disclosed
US-5380850-A Quinoline hydrazine intermediates MERCK FROSST CANADA, INC. (CA) 1995-01-10 US disclosed
WO-1994013293-A2 (QUINOLIN-2-YLMETHOXY)INDOLES AS INHIBITORS OF THE BIOSYNTHESIS OF LEUKOTRIENES MERCK FROSST CANADA INC. (CA) 1994-06-23 WO disclosed
US-5272145-A (Quinolin-2-ylmethoxy)indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA, INC. (CA) 1993-12-21 US disclosed
US-5204344-A (Quinolin-2-ylmethoxy)indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA, INC. (CA) 1993-04-20 US disclosed
US-5081145-A Contractile prostaglandin antagonists MERCK FROSST CANADA, INC. (CA) 1992-01-14 US disclosed
EP-0419049-A1 (Quinolin-2-ylmethoxy) indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA INC. (CA) 1991-03-27 EP disclosed
EP-0166591-B1 INDOLE-2-ALKANOIC ACIDS AND THEIR USE AS PROSTAGLANDIN ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1989-11-23 EP disclosed
EP-0166591-A2 Indole-2-alkanoic acids and their use as prostaglandin antagonists MERCK FROSST CANADA INC. (CA) 1986-01-02 EP 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-20090068257-A1 BETULONIC AND BETULINIC ACID DERIVATIVES BET1, PGGT1B, PAG1 TDP1 3552/4885DGAT1 778/4885PRSS1 3971/4885
US-20140066416-A1 BETULONIC AND BETULINIC ACID DERIVATIVES BET1, BCAT1, PGGT1B TDP1 2737/4885DGAT1 843/4885PRSS1 3570/4885

“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.