SCHEMBL13302243

SCHEMBL13302243

CC/C=C/c1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.60
CYP2C9 P11712 4/20 0.60
SIRT6 Q8N6T7 2/20 0.60
ABCC3 O15438 1/20 0.60
ABCB11 O95342 1/20 0.60
PGR P06401 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
RXRA P19793 1/20 0.60
TBXA2R P21731 1/20 0.60
CCKAR P32238 1/20 0.60
ADRA1A P35348 1/20 0.60
PTGS2 P35354 1/20 0.60
NR4A2 P43354 1/20 0.60
PDE4D Q08499 1/20 0.60
SLC10A1 Q14973 1/20 0.60
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL9043559 0.89 HMGCR (0.61) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL9043573 0.89 HMGCR (0.61) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL19231539 0.87 CYP2C9 (0.55) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL12073720 0.86 CYP2C9 (0.60) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL12192328 0.85 CYP2C9 (0.65) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL1876635 0.82 CYP2C9 (0.57) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL5847130 0.82 CYP2C9 (0.60) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL29999171 0.82 CYP2C9 (0.60) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL5847132 0.82 CYP2C9 (0.60) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL13292039 0.82 CYP2C9 (0.57) HMGCRCYP2C9SIRT6ABCC3ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026095-A1 PROCESS FOR THE CONTINUOUS MANUFACTURE OF STATINS Dr Reddys Laboratories Ltd (IN) 2023-01-26 US disclosed
US-20100145046-A1 Substituted 3-hydroxy-delta-lactones from epoxides ENERGY, UNITED STATES DEPARTMENT OF 2010-06-10 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 (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-20230026095-A1 PROCESS FOR THE CONTINUOUS MANUFACTURE OF STATINS HMGCR, PCSK9, CETP HMGCR 1/4885CYP2C9 173/4885SIRT6 1728/4885
US-20100145046-A1 Substituted 3-hydroxy-delta-lactones from epoxides EBP, CYP8B1, HSD3B2 HMGCR 160/4885CYP2C9 153/4885SIRT6 3907/4885

“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.