SCHEMBL5499174

SCHEMBL5499174

CC(C)n1nc(-c2ccccc2)c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 10/20 0.65
CYP2C9 P11712 4/20 0.65
SIRT6 Q8N6T7 2/20 0.65
TBXA2R P21731 2/20 0.65
ADRA1A P35348 2/20 0.65
NR4A2 P43354 2/20 0.65
PDE4D Q08499 2/20 0.65
ABCC3 O15438 1/20 0.65
ABCB11 O95342 1/20 0.65
PGR P06401 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
RXRA P19793 1/20 0.65
CCKAR P32238 1/20 0.65
PTGS2 P35354 1/20 0.65
SLC10A1 Q14973 1/20 0.65
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL9731310 0.82 HMGCR (0.59) HMGCRCYP2C9SIRT6TBXA2RADRA1A
SCHEMBL9731305 0.82 HMGCR (0.59) HMGCRCYP2C9SIRT6TBXA2RADRA1A
SCHEMBL10396849 0.82 HMGCR (0.77) HMGCRCYP2C9SIRT6TBXA2RADRA1A
SCHEMBL10396848 0.82 HMGCR (0.77) HMGCRCYP2C9SIRT6TBXA2RADRA1A
SCHEMBL8952976 0.79 HMGCR (0.69) HMGCRCYP2C9SIRT6TBXA2RADRA1A
SCHEMBL8952968 0.79 HMGCR (0.69) HMGCRCYP2C9SIRT6TBXA2RADRA1A
SCHEMBL9729978 0.79 HMGCR (0.52) HMGCRCYP2C9SIRT6TBXA2RADRA1A
SCHEMBL9729969 0.79 HMGCR (0.52) HMGCRCYP2C9SIRT6TBXA2RADRA1A
Fluvastatin SCHEMBL628757 0.79 HMGCR (1.00) HMGCRCYP2C9SIRT6TBXA2RADRA1A
Fluvastatin SCHEMBL13501651 0.79 HMGCR (1.00) HMGCRCYP2C9SIRT6TBXA2RADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054860-B1 PROCESS FOR THE SYNTHESIS OF 1,3-DIOLS PFIZER IRELAND PHARMACEUTICALS (IE) 2007-04-25 EP disclosed
US-6962994-B2 Process for the synthesis of 1,3-diols WARNER-LAMBERT COMPANY, LLC (US) 2005-11-08 US disclosed
US-20050197500-A1 Process for the synthesis of 1,3-diols BOSCH ROBERT L (US) 2005-09-08 US disclosed
US-20040006231-A1 Process for the synthesis of 1,3-diols BOSCH ROBERT LEE (US) 2004-01-08 US disclosed
US-6596879-B2 Beta hydroxy ketone treated with trialkylborane or dialkylalkoxyborane followed by recovery and reuse of alkylborane WARNER-LAMBERT COMPANY 2003-07-22 US disclosed
US-20020161021-A1 Process for the synthesis of 1,3-diols BOSCH ROBERT LEE (US) 2002-10-31 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 (3 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-20050197500-A1 Process for the synthesis of 1,3-diols HSD17B7, HSD11B1, BCKDK HMGCR 160/4885CYP2C9 276/4885SIRT6 4380/4885
US-20020161021-A1 Process for the synthesis of 1,3-diols HSD17B7, HSD11B1, BCKDK HMGCR 160/4885CYP2C9 276/4885SIRT6 4380/4885
US-20040006231-A1 Process for the synthesis of 1,3-diols HSD17B7, HSD11B1, BCKDK HMGCR 160/4885CYP2C9 276/4885SIRT6 4380/4885

“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.