SCHEMBL2012976

SCHEMBL2012976

COC(OC)C(O)C(C)CCC=C(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.39
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
SRC P12931 1/20 0.32
KDM4E B2RXH2 1/20 0.32
METAP2 P50579 1/20 0.31
USP2 O75604 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL11689424 0.86 ALOX15 (0.47) ALOX15ALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL11868741 0.74 ALOX15 (0.52) ALOX15ALDH1A1TSHRSRCKDM4E
SCHEMBL17131606 0.73 ALOX15 (0.50) ALOX15ALDH1A1TSHRSRCMETAP2
SCHEMBL873011 0.72 ALOX15 (0.46) ALOX15ALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL27887115 0.71 ALOX15 (0.44) ALOX15ALDH1A1TSHRSRCUSP2
SCHEMBL19973165 0.70 ALOX15 (0.45) ALOX15ALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL237275 0.69 ALOX15 (0.47) ALOX15ALDH1A1TSHRSRCUSP2
SCHEMBL12027362 0.69 ALOX15 (0.47) ALOX15ALDH1A1TSHRSRCKDM4E
SCHEMBL214608 0.69
SCHEMBL9175546 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111690218-A Environment-friendly rat-proof and termite-proof plastic insulated control cable 李坤 2020-09-22 CN disclosed
US-20150266847-A1 MACROCYCLIC TRIENE LACTONES HAVING UNCONJUGATED TRIENE STRUCTURE, ITS PRODUCTION METHOD AND ITS SYNTHETIC INTERMEDIATE TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-09-24 US disclosed
US-9085545-B2 Macrocyclic triene lactones having unconjugated triene structure, its production method and its synthetic intermediate TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-07-21 US disclosed
US-20140163099-A1 ANTIMICROBIAL COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-06-12 US disclosed
EP-2725900-A1 ANTIMICROBIAL COMPOSITION Takasago International Corporation (JP) 2014-05-07 EP disclosed
US-20130324744-A1 MACROCYCLIC TRIENE LACTONES HAVING UNCONJUGATED TRIENE STRUCTURE, ITS PRODUCTION METHOD AND ITS SYNTHETIC INTERMEDIATE TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-12-05 US disclosed
US-20130005807-A1 ANTIMICROBIAL COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-01-03 US disclosed
WO-2013002421-A1 ANTIMICROBIAL COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-01-03 WO disclosed
WO-2012115285-A1 MACROCYCLIC TRIENE LACTONES HAVING UNCONJUGATED TRIENE STRUCTURE, ITS PRODUCTION METHOD AND ITS SYNTHETIC INTERMEDIATE TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-08-30 WO disclosed
US-7964637-B2 Process for producing optically active theaspirane TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-06-21 US disclosed
US-20090270516-A1 Process for Producing Optically Active Theaspirane TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-29 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-20130324744-A1 MACROCYCLIC TRIENE LACTONES HAVING UNCONJUGATED TRIENE STRUCTURE, ITS PRODUCTION METHOD AND ITS SYNTHETIC INTERMEDIATE TAS2R13, TAS2R40, TAS2R14 ALOX15 401/4885ALDH1A1 2177/4885TSHR 1887/4885
US-20090270516-A1 Process for Producing Optically Active Theaspirane DHPS, ALDH7A1, FASN ALOX15 389/4885ALDH1A1 38/4885TSHR 4388/4885
US-20150266847-A1 MACROCYCLIC TRIENE LACTONES HAVING UNCONJUGATED TRIENE STRUCTURE, ITS PRODUCTION METHOD AND ITS SYNTHETIC INTERMEDIATE TAS2R13, TAS2R40, TAS2R14 ALOX15 401/4885ALDH1A1 2177/4885TSHR 1887/4885

“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.