SCHEMBL945455

SCHEMBL945455

CCCCCO/C=C/CCl

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LPAR1 Q92633 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
PLA2G1B P04054 1/20 0.31
HSP90AA1 P07900 1/20 0.31
RAD52 P43351 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL945457 1.00 TSHR (0.35) TSHRALDH1A1LPAR1LPAR2LPAR3
SCHEMBL28294021 0.83
SCHEMBL7942943 0.81 LPAR1 (0.34) TSHRALDH1A1LPAR1LPAR2LPAR3
SCHEMBL7942945 0.81 LPAR1 (0.34) TSHRALDH1A1LPAR1LPAR2LPAR3
SCHEMBL16994989 0.80 THRB (0.41) TSHRLPAR1LPAR2LPAR3CA1
SCHEMBL23501869 0.79 LPAR3 (0.41) ALDH1A1LPAR1LPAR2LPAR3
SCHEMBL14939724 0.79 THRB (0.38) TSHRLPAR1LPAR2LPAR3CA1
SCHEMBL905315 0.79 THRB (0.38) TSHRLPAR1LPAR2LPAR3CA1
SCHEMBL489185 0.79 THRB (0.38) TSHRLPAR1LPAR2LPAR3CA1
SCHEMBL14939723 0.79 THRB (0.38) TSHRLPAR1LPAR2LPAR3CA1

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-10307434-B2 Nucleic acid prodrugs and methods of use thereof WAVE LIFE SCIENCES LTD. (SG) 2019-06-04 US disclosed
US-9744183-B2 Nucleic acid prodrugs and methods of use thereof WAVE LIFE SCIENCES LTD. (SG) 2017-08-29 US disclosed
US-20160347784-A1 NOVEL NUCLEIC ACID PRODRUGS AND METHODS OF USE THEREOF WAVE LIFE SCIENCES PTE. LTD. (SG) 2016-12-01 US disclosed
US-20120316224-A1 NOVEL NUCLEIC ACID PRODRUGS AND METHODS OF USE THEREOF ONTORII, INC (US) 2012-12-13 US disclosed
EP-2451461-A1 NOVEL NUCLEIC ACID PRODRUGS AND METHODS OF USE THEREOF Ontorii, Inc (US) 2012-05-16 EP disclosed
WO-2011005761-A1 NOVEL NUCLEIC ACID PRODRUGS AND METHODS USE THEREOF ONTORII, INC (US) 2011-01-13 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 (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-20120316224-A1 NOVEL NUCLEIC ACID PRODRUGS AND METHODS OF USE THEREOF PNP, RNGTT, TYMP TSHR 3172/4885ALDH1A1 1085/4885LPAR1 1571/4885
US-20160347784-A1 NOVEL NUCLEIC ACID PRODRUGS AND METHODS OF USE THEREOF PNP, RNGTT, TYMP TSHR 3172/4885ALDH1A1 1085/4885LPAR1 1571/4885
US-10307434-B2 Nucleic acid prodrugs and methods of use thereof PNP, RNGTT, NSUN2 TSHR 3338/4885ALDH1A1 899/4885LPAR1 1394/4885

“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.