SCHEMBL157672

SCHEMBL157672

CCCCOC(CO)CCC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.50
CNR1 P21554 4/20 0.50
ALDH1A1 P00352 2/20 0.50
DNM1 Q05193 1/20 0.42
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
LPAR6 P43657 2/20 0.37
LPAR1 Q92633 2/20 0.37
LPAR4 Q99677 2/20 0.37
LPAR5 Q9H1C0 2/20 0.37
LPAR2 Q9HBW0 2/20 0.37
LPAR3 Q9UBY5 2/20 0.37

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
SCHEMBL17881327 0.91 CNR2 (0.50) CNR2CNR1ALDH1A1DNM1TSHR
SCHEMBL10397170 0.91 CNR2 (0.50) CNR2CNR1ALDH1A1DNM1TSHR
SCHEMBL27932908 0.89 CNR2 (0.44) CNR2CNR1ALDH1A1DNM1TSHR
SCHEMBL2853365 0.89 CNR2 (0.53) CNR2CNR1ALDH1A1DNM1TSHR
SCHEMBL709665 0.88 CNR2 (0.60) CNR2CNR1ALDH1A1DNM1TSHR
SCHEMBL17817321 0.87 CNR2 (0.51) CNR2CNR1ALDH1A1DNM1MAPT
SCHEMBL14980633 0.87 CNR2 (0.51) CNR2CNR1ALDH1A1DNM1MAPT
SCHEMBL7191931 0.87 CNR2 (0.51) CNR2CNR1ALDH1A1DNM1MAPT
SCHEMBL19526349 0.87 CNR2 (0.51) CNR2CNR1ALDH1A1DNM1MAPT
SCHEMBL31087995 0.87 CNR2 (0.51) CNR2CNR1ALDH1A1DNM1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303051-B2 Phosphonate ester derivatives and methods of synthesis thereof CHIMERIX INC. (US) 2016-04-05 US disclosed
US-20150329575-A1 PHOSPHONATE ESTER DERIVATIVES AND METHODS OF SYNTHESIS THEREOF EMERGENT BIODEFENSE OPERATIONS LANSING LLC 2015-11-19 US disclosed
US-8569321-B2 Phosphonate ester derivatives and methods of synthesis thereof CHIMERIX, INC. (US) 2013-10-29 US disclosed
US-20120058976-A1 Phosphonate Ester Derivatives and Methods of Synthesis Thereof CHIMERIX, INC. (US) 2012-03-08 US disclosed
US-4105629-A SYNTHETIC RESIN STABILIZER COMPRISING A THIOETHER ESTER AND HINDERED PHENOLIC CARBONATE ARGUS CHEMICAL CORPORATION (US) 1978-08-08 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 (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-20120058976-A1 Phosphonate Ester Derivatives and Methods of Synthesis Thereof PHOSPHO1, PIK3CA, PNP CNR2 4086/4885CNR1 4055/4885ALDH1A1 2151/4885
US-20150329575-A1 PHOSPHONATE ESTER DERIVATIVES AND METHODS OF SYNTHESIS THEREOF PHOSPHO1, PIK3CA, PNP CNR2 4086/4885CNR1 4055/4885ALDH1A1 2151/4885

“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.