SCHEMBL9945967

SCHEMBL9945967

CB(O)c1cccc(OC(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.48
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 4/20 0.42
KAT6A Q92794 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NSD2 O96028 1/20 0.41
PTPN5 P54829 1/20 0.39
PARP10 Q53GL7 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
LMNA P02545 2/20 0.38

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
SCHEMBL7998 0.89 ENPP2 (0.63) ENPP2RXRARXRBKMT2AMEN1
SCHEMBL22960754 0.84 ENPP2 (0.49) ENPP2RXRARXRBKMT2AMEN1
SCHEMBL12524808 0.80 ENPP2 (0.74) ENPP2ALDH1A1LMNACA2NPC1
SCHEMBL2968363 0.79 RXRA (0.53) RXRARXRBKMT2AMEN1GAA
SCHEMBL9945968 0.78 KMT2A (0.48) ENPP2KMT2AMEN1GAAALDH1A1
SCHEMBL31290760 0.77 RXRA (0.46) RXRARXRBKMT2AMEN1GAA
SCHEMBL5149318 0.76 ENPP2 (0.38) ENPP2RXRARXRBKMT2AMEN1
SCHEMBL16426160 0.74 ENPP2 (0.36) ENPP2KMT2AMEN1GAAHTT
SCHEMBL257607 0.74 CA1 (0.58) ENPP2RXRARXRBKMT2AMEN1
SCHEMBL30398332 0.74 CYP3A4 (0.62) RXRARXRBKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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 (1 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ENPP2 147/4885RXRA 1479/4885RXRB 921/4885

“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.