SCHEMBL338642

SCHEMBL338642

O=CCCCCC1(O)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.36
TSHR P16473 2/20 0.33
CYP2C19 P33261 1/20 0.31
FAAH O00519 2/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL10037417 0.98 TSHR (0.37) HIF1ATSHRCYP2C19FAAHTRPV1
SCHEMBL10037412 0.94 HIF1A (0.38) HIF1ATSHRCYP2C19
SCHEMBL5792687 0.85 CYP2C19 (0.33) CYP2C19
SCHEMBL596917 0.82 CYP2C19 (0.34) TSHRCYP2C19
SCHEMBL596557 0.79 CYP2C19 (0.33) TSHRCYP2C19
SCHEMBL596129 0.79 CYP2C19 (0.33) TSHRCYP2C19
SCHEMBL9801192 0.78 TSHR (0.37) TSHR
SCHEMBL9654521 0.77 RYR2 (0.33) TSHRCYP2C19
SCHEMBL596112 0.77 CYP2C19 (0.34) TSHRCYP2C19
Cyclohexane SCHEMBL28843662 0.74 HIF1A (0.64) HIF1ATSHRFAAHTRPV1

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
US-8097728-B2 Iminosugar compounds with antiflavirus activity PHILADELPHIA HEALTH & EDUCATION CORPORATION (US) 2012-01-17 US disclosed
US-8097728-B2 Iminosugar compounds with antiflavirus activity PHILADELPHIA HEALTH & EDUCATION CORPORATION (US) 2012-01-17 US disclosed
US-8097728-B2 Iminosugar compounds with antiflavirus activity PHILADELPHIA HEALTH & EDUCATION CORPORATION (US) 2012-01-17 US disclosed
US-20090042268-A1 IMINOSUGAR COMPOUNDS WITH ANTIFLAVIRUS ACTIVITY NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-02-12 US disclosed
US-20090042268-A1 IMINOSUGAR COMPOUNDS WITH ANTIFLAVIRUS ACTIVITY NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-02-12 US disclosed
US-20090042268-A1 IMINOSUGAR COMPOUNDS WITH ANTIFLAVIRUS ACTIVITY NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-02-12 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-20090042268-A1 IMINOSUGAR COMPOUNDS WITH ANTIFLAVIRUS ACTIVITY INSRR, RNASEL, AGL HIF1A 3553/4885TSHR 3570/4885CYP2C19 4205/4885

“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.