SCHEMBL1636096

SCHEMBL1636096

C=C(C)COC(C)CCCCC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.41
OPRM1 P35372 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CA1 P00915 2/20 0.35
SPHK1 Q9NYA1 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMPD1 P17405 3/20 0.32
TSHR P16473 2/20 0.32
ACE2 Q9BYF1 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
SCHEMBL14938857 0.80 LMNA (0.39) SPHK1LMNASMPD1TSHR
SCHEMBL2793662 0.80 GPR84 (0.35) SPHK1LMNATP53SMPD1TSHR
SCHEMBL9627576 0.80
SCHEMBL8965934 0.78
SCHEMBL23703739 0.78 GPR84 (0.38) SPHK1LMNASMPD1TSHR
SCHEMBL1133078 0.77
SCHEMBL5277499 0.76
SCHEMBL13694249 0.76 TDP1 (0.46) SPHK1ALDH1A1TSHR
SCHEMBL8191462 0.76 LMNA (0.35) LMNASMPD1TSHR
SCHEMBL11243859 0.75

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-7932293-B2 Aldehyde compositions and methods for providing fragrance containing the same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-04-26 US disclosed
US-7932293-B2 Aldehyde compositions and methods for providing fragrance containing the same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-04-26 US disclosed
US-7932293-B2 Aldehyde compositions and methods for providing fragrance containing the same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2011-04-26 US disclosed
US-20080319088-A1 Aldehyde Compositions and Methods for Providing Fragrance Containing the Same SMITH CATHERINE MARIE 2008-12-25 US disclosed
US-20080319088-A1 Aldehyde Compositions and Methods for Providing Fragrance Containing the Same SMITH CATHERINE MARIE 2008-12-25 US disclosed
US-20080319088-A1 Aldehyde Compositions and Methods for Providing Fragrance Containing the Same SMITH CATHERINE MARIE 2008-12-25 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-20080319088-A1 Aldehyde Compositions and Methods for Providing Fragrance Containing the Same ALDH1A1, ALDH5A1, ALDH3A1 FAAH 66/4885OPRM1 93/4885CNR1 521/4885

“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.