SCHEMBL16882027

SCHEMBL16882027

COCOCC[C@@](C)(O)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ TBXA2R P21731 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ FFAR1 O14842 1/20 0.36
▸ CPT2 P23786 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 2/20 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
SCHEMBL16882025 0.86 HMGCR (0.58) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL15259178 0.86 HMGCR (0.58) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL14864444 0.78 HMGCR (0.54) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL31267570 0.77 ALDH1A1 (0.45) ALDH1A1
SCHEMBL14508457 0.76 HMGCR (0.56) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL8736083 0.73 HMGCR (0.52) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL1286788 0.72 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL599363 0.72 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL18376075 0.72 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL15258419 0.72 MVD (0.47) HMGCRCHRM1TBXA2RADRA1AFFAR1

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-9604925-B2 Class II HMG-CoA reductase inhibitors and methods of use PURDUE RESEARCH FOUNDATION (US) 2017-03-28 — — US disclosed
US-20150239830-A1 CLASS II HMG-COA REDUCTASE INHIBITORS AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2015-08-27 — — US disclosed
US-9073832-B2 Class II HMG-COA reductase inhibitors and methods of use PURDUE RESEARCH FOUNDATION (US) 2015-07-07 — — 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-20150239830-A1 CLASS II HMG-COA REDUCTASE INHIBITORS AND METHODS OF USE HMGCR, HMGB2, HMGB3 HMGCR 1/4885CHRM1 4610/4885TBXA2R 1005/4885

“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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