SCHEMBL17607274

SCHEMBL17607274

CC(C)CCCCCC1(O)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 2/20 0.35
RYR2 Q92736 1/20 0.33
MMP9 P14780 1/20 0.33
KDM4C Q9H3R0 2/20 0.31
KDM4A O75164 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
PTPN1 P18031 1/20 0.31
CDC25A P30304 2/20 0.30
CDC25B P30305 2/20 0.30
TRPV1 Q8NER1 1/20 0.30
TRPA1 O75762 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
SCHEMBL17607217 1.00 LMNA (0.39) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL17607221 0.91 LMNA (0.36) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL7112064 0.90 CETP (0.35) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL17761461 0.84 LMNA (0.33) LMNAPTPN1
Oxirane SCHEMBL7121149 0.83 CETP (0.32) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL13814778 0.82 CETP (0.37) LMNAPTPN1CDC25ACDC25B
SCHEMBL17731285 0.81 OPRM1 (0.36) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL14012115 0.80
SCHEMBL5545046 0.80 CETP (0.39) LMNAPTPN1CDC25ACDC25B
SCHEMBL4302709 0.75 LMNA (0.33) LMNAPTPN1

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-20170275262-A1 CYCLOPROPANE DERIVATIVES IN FLAVOR AND FRAGRANCE COMPOSITIONS CAI TINGWEI (US) 2017-09-28 US claimed
WO-2016043771-A9 CYCLOPROPANE DERIVATIVES IN FLAVOR AND FRAGRANCE COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2016-05-12 WO claimed
WO-2016043771-A1 CYCLOPROPANE DERIVATIVES IN FLAVOR AND FRAGRANCE COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2016-03-24 WO claimed
US-20170275262-A1 CYCLOPROPANE DERIVATIVES IN FLAVOR AND FRAGRANCE COMPOSITIONS CAI TINGWEI (US) 2017-09-28 US disclosed
US-20170275262-A1 CYCLOPROPANE DERIVATIVES IN FLAVOR AND FRAGRANCE COMPOSITIONS CAI TINGWEI (US) 2017-09-28 US disclosed
WO-2016043771-A1 CYCLOPROPANE DERIVATIVES IN FLAVOR AND FRAGRANCE COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2016-03-24 WO 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-20170275262-A1 CYCLOPROPANE DERIVATIVES IN FLAVOR AND FRAGRANCE COMPOSITIONS FAAH2, CNR1, TAS2R5 LMNA 2619/4885OPRM1 233/4885OPRD1 141/4885

“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.