SCHEMBL13814599

SCHEMBL13814599

COC(=O)[C@]12CC[C@@H](C(C)CO)C1C1CCC3[C@@]4(C)CC[C@H](O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.81
PRKCD Q05655 1/20 0.66
NR1H4 Q96RI1 2/20 0.64
TOP2A P11388 1/20 0.58
SLC10A1 Q14973 1/20 0.57
RELA Q04206 1/20 0.54

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
SCHEMBL15713590 0.91 GPBAR1 (0.80) GPBAR1PRKCDNR1H4SLC10A1
SCHEMBL3780915 0.91 GPBAR1 (0.80) GPBAR1PRKCDNR1H4SLC10A1
SCHEMBL13814596 0.90 GPBAR1 (0.69) GPBAR1PRKCDNR1H4TOP2ARELA
SCHEMBL14569553 0.90 GPBAR1 (1.00) GPBAR1PRKCDNR1H4SLC10A1
SCHEMBL15713707 0.85 GPBAR1 (0.81) GPBAR1TOP2ARELA
SCHEMBL17124269 0.83 NR1H4 (0.65) GPBAR1PRKCDNR1H4TOP2ASLC10A1
SCHEMBL9891262 0.82 GPBAR1 (0.79) GPBAR1PRKCDNR1H4SLC10A1
SCHEMBL14569555 0.82 GPBAR1 (0.86) GPBAR1PRKCDNR1H4SLC10A1
SCHEMBL16199332 0.82 GPBAR1 (0.79) GPBAR1PRKCDNR1H4SLC10A1
SCHEMBL15713700 0.82 GPBAR1 (0.70) GPBAR1TOP2ARELA

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-20150272922-A1 Compounds for Reducing Glucocorticoids, and Methods of Treatment Thereof BIONICHE ANIMAL HEALTH USA, INC. 2015-10-01 US disclosed
US-20150272922-A1 Compounds for Reducing Glucocorticoids, and Methods of Treatment Thereof BIONICHE ANIMAL HEALTH USA, INC. 2015-10-01 US disclosed
US-20150005267-A1 ANXIOLYTIC MARCGRAVIACEAE COMPOSITIONS CONTAINING BETULINIC ACID, BETULINIC ACID DERIVATIVES, AND METHODS UNIV OTTAWA (CA) 2015-01-01 US disclosed
US-20150005267-A1 ANXIOLYTIC MARCGRAVIACEAE COMPOSITIONS CONTAINING BETULINIC ACID, BETULINIC ACID DERIVATIVES, AND METHODS UNIV OTTAWA (CA) 2015-01-01 US disclosed
WO-2014071506-A1 COMPOUNDS FOR REDUCING GLUCOCORTICOIDS, AND METHODS OF TREATMENT THEREOF BIONICHE LIFE SCIENCES INC. (CA) 2014-05-15 WO disclosed
US-8623848-B2 Anxiolytic marcgraviaceae compositions containing betulinic acid, betulinic acid derivatives, and methods UNIVERSITY OF OTTAWA (CA) 2014-01-07 US disclosed
US-8623848-B2 Anxiolytic marcgraviaceae compositions containing betulinic acid, betulinic acid derivatives, and methods UNIVERSITY OF OTTAWA (CA) 2014-01-07 US disclosed
US-20130065868-A1 ANXIOYTIC MARCGRAVIACEAE COMPOSITIONS CONTAINING BETULINIC ACID, BETULINIC ACID DERIVATIVES, AND METHODS UNIVERSITY OF OTTAWA (CA) 2013-03-14 US disclosed
US-20130065868-A1 ANXIOYTIC MARCGRAVIACEAE COMPOSITIONS CONTAINING BETULINIC ACID, BETULINIC ACID DERIVATIVES, AND METHODS UNIVERSITY OF OTTAWA (CA) 2013-03-14 US disclosed
US-20090143350-A1 Anxiolytic Marcgraviaceae Compositions Containing Betulinic Acid, Betulinic Acid Derivatives, and Methods UNIVERSITY OF OTTAWA 2009-06-04 US disclosed
US-20090143350-A1 Anxiolytic Marcgraviaceae Compositions Containing Betulinic Acid, Betulinic Acid Derivatives, and Methods UNIVERSITY OF OTTAWA 2009-06-04 US disclosed
US-7488722-B2 Anxiolytic Marcgraviaceae compositions containing betulinic acid, betulinic acid derivatives, and methods UNIVERSITY OF OTTAWA (CA) 2009-02-10 US disclosed
US-7488722-B2 Anxiolytic Marcgraviaceae compositions containing betulinic acid, betulinic acid derivatives, and methods UNIVERSITY OF OTTAWA (CA) 2009-02-10 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 (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-20090143350-A1 Anxiolytic Marcgraviaceae Compositions Containing Betulinic Acid, Betulinic Acid Derivatives, and Methods GABRA5, GABRA6, GABRA1 GPBAR1 250/4885PRKCD 1557/4885NR1H4 400/4885
US-20150272922-A1 Compounds for Reducing Glucocorticoids, and Methods of Treatment Thereof NR3C1, NR5A1, NR3C2 GPBAR1 230/4885PRKCD 2233/4885NR1H4 410/4885
US-20130065868-A1 ANXIOYTIC MARCGRAVIACEAE COMPOSITIONS CONTAINING BETULINIC ACID, BETULINIC ACID DERIVATIVES, AND METHODS GABRA5, GABRA6, GABRA1 GPBAR1 188/4885PRKCD 1391/4885NR1H4 320/4885
US-20150005267-A1 ANXIOLYTIC MARCGRAVIACEAE COMPOSITIONS CONTAINING BETULINIC ACID, BETULINIC ACID DERIVATIVES, AND METHODS GABRA5, GABRA6, GABRA1 GPBAR1 250/4885PRKCD 1557/4885NR1H4 400/4885

“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.