SCHEMBL12484115

SCHEMBL12484115

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
PTPN7 P35236 4/20 0.43
KMT2A Q03164 4/20 0.43
RECQL P46063 3/20 0.43
MEN1 O00255 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
BLM P54132 1/20 0.43
MCL1 Q07820 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.41
HMGCR P04035 1/20 0.38
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL12484150 0.98 TSHR (0.47) TSHRPTPN7KMT2ARECQLMEN1
SCHEMBL12484913 0.98 TSHR (0.47) TSHRPTPN7KMT2ARECQLMEN1
SCHEMBL9975552 0.95 TSHR (0.50) TSHRPTPN7KMT2ARECQLMEN1
SCHEMBL9975548 0.95 TSHR (0.50) TSHRPTPN7KMT2ARECQLMEN1
SCHEMBL6744982 0.95 TSHR (0.50) TSHRPTPN7KMT2ARECQLMEN1
SCHEMBL12910845 0.93 TSHR (0.52) TSHRPTPN7KMT2ARECQLALDH1A1
SCHEMBL2481274 0.93 TSHR (0.52) TSHRPTPN7KMT2ARECQLALDH1A1
SCHEMBL12484178 0.89 TSHR (0.48) TSHRPTPN7KMT2ARECQLMEN1
SCHEMBL12486211 0.89 TSHR (0.48) TSHRPTPN7KMT2ARECQLMEN1
SCHEMBL659218 0.89 TSHR (0.56) TSHRPTPN7KMT2ARECQLMEN1

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 1887/4885PTPN7 4260/4885KMT2A 3074/4885
US-20150266847-A1 MACROCYCLIC TRIENE LACTONES HAVING UNCONJUGATED TRIENE STRUCTURE, ITS PRODUCTION METHOD AND ITS SYNTHETIC INTERMEDIATE TAS2R13, TAS2R40, TAS2R14 TSHR 1887/4885PTPN7 4260/4885KMT2A 3074/4885

“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.