SCHEMBL12484150

SCHEMBL12484150

COC(=O)CCCCCC#CCC#CCC#CCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
RECQL P46063 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
PTPN7 P35236 4/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
BLM P54132 1/20 0.42
MCL1 Q07820 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HMGCR P04035 2/20 0.41
EPHX2 P34913 1/20 0.36
SELP P16109 1/20 0.36

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
SCHEMBL12484913 1.00 TSHR (0.47) TSHRRECQLTDP1ALDH1A1LMNA
SCHEMBL12484115 0.98 TSHR (0.48) TSHRRECQLTDP1ALDH1A1LMNA
SCHEMBL2481274 0.95 TSHR (0.52) TSHRRECQLALDH1A1LMNAPTPN7
SCHEMBL12910845 0.95 TSHR (0.52) TSHRRECQLALDH1A1LMNAPTPN7
SCHEMBL9975552 0.93 TSHR (0.50) TSHRRECQLTDP1ALDH1A1LMNA
SCHEMBL9975548 0.93 TSHR (0.50) TSHRRECQLTDP1ALDH1A1LMNA
SCHEMBL6744982 0.93 TSHR (0.50) TSHRRECQLTDP1ALDH1A1LMNA
SCHEMBL12485839 0.90 TSHR (0.47) TSHRRECQLTDP1ALDH1A1LMNA
SCHEMBL12484178 0.88 TSHR (0.48) TSHRRECQLTDP1ALDH1A1LMNA
SCHEMBL12486211 0.88 TSHR (0.48) TSHRRECQLTDP1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

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-20130324744-A1 MACROCYCLIC TRIENE LACTONES HAVING UNCONJUGATED TRIENE STRUCTURE, ITS PRODUCTION METHOD AND ITS SYNTHETIC INTERMEDIATE TAS2R13, TAS2R40, TAS2R14 TSHR 1887/4885RECQL 3894/4885TDP1 4574/4885
US-20150266847-A1 MACROCYCLIC TRIENE LACTONES HAVING UNCONJUGATED TRIENE STRUCTURE, ITS PRODUCTION METHOD AND ITS SYNTHETIC INTERMEDIATE TAS2R13, TAS2R40, TAS2R14 TSHR 1887/4885RECQL 3894/4885TDP1 4574/4885

“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.