SCHEMBL16675257

SCHEMBL16675257

[2H]C([2H])([2H])C(C)(C(C)(C)C)C([2H])([2H])C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 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
SCHEMBL16675260 0.78 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL16675265 0.68 KDM4E (0.31) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL16305057 0.67 FFAR1 (0.54) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL12914952 0.66 HMGCR (0.55) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL12745311 0.62 NAALAD2 (0.46) HMGCRCHRM1TBXA2RADRA1ACYP2D6
Propionic Acid SCHEMBL7569705 0.59
SCHEMBL22898085 0.59 KDM4E (0.50) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL17452117 0.59 LMNA (0.48) HMGCRCHRM1TBXA2RADRA1ATSHR
SCHEMBL7252624 0.58 HMGCR (0.61) HMGCRCHRM1TBXA2RADRA1ACYP2D6
Bicarbonate SCHEMBL2938234 0.58 TSHR (0.33) HMGCRCHRM1TBXA2RADRA1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637516-B2 Betulinic acid proline derivatives as HIV inhibitors HETERO RESEARCH FOUNDATION (IN) 2017-05-02 US disclosed
US-20150337004-A1 NOVEL BETULINIC ACID PROLINE DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2015-11-26 US disclosed
US-20150119373-A1 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2015-04-30 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 (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-20150119373-A1 NOVEL BETULINIC ACID DERIVATIVES AS HIV INHIBITORS BET1, PGGT1B, RABGGTB HMGCR 843/4885CHRM1 4737/4885TBXA2R 1702/4885
US-20150337004-A1 NOVEL BETULINIC ACID PROLINE DERIVATIVES AS HIV INHIBITORS BET1, PRR12, PELP1 HMGCR 2397/4885CHRM1 4865/4885TBXA2R 3240/4885

“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.