SCHEMBL22960754

SCHEMBL22960754

COB(O)c1cccc(OC(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.49
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
PLG P00747 2/20 0.41
PLAU P00749 2/20 0.41
PLAT P00750 2/20 0.41
F2 P00734 1/20 0.41
KLKB1 P03952 1/20 0.41
PRSS1 P07477 1/20 0.41
KLK1 P06870 1/20 0.39
KAT6A Q92794 1/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NSD2 O96028 1/20 0.38
L3MBTL1 Q9Y468 1/20 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 0.84 ENPP2 (0.63) ENPP2RXRARXRBKMT2AMEN1
SCHEMBL9945967 0.84 ENPP2 (0.48) ENPP2RXRARXRBKMT2AMEN1
SCHEMBL258024 0.83 MTNR1B (0.44) RXRARXRBKMT2AMEN1GAA
SCHEMBL5149318 0.79 ENPP2 (0.38) ENPP2RXRARXRBKMT2AMEN1
SCHEMBL22960603 0.76 TP53 (0.49) ENPP2RXRARXRBKMT2AMEN1
SCHEMBL22960610 0.75 HDAC4 (0.43) ENPP2RXRARXRBGAAHTT
SCHEMBL22960492 0.75 ENPP2 (0.47) ENPP2GAAHTTKAT6AALDH1A1
SCHEMBL2968363 0.74 RXRA (0.53) RXRARXRBKMT2AMEN1GAA
SCHEMBL20273151 0.74 ENPP2 (0.59) ENPP2ALDH1A1KDM4ECA2
SCHEMBL31290760 0.73 RXRA (0.46) 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-20210040079-A1 10H-phenothiazine ferroptosis inhibitor as well as the preparative method and the use thereof Chengdu Henghao Investment Co. Limited (CN) 2021-02-11 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-20210040079-A1 10H-phenothiazine ferroptosis inhibitor as well as the preparative method and the use thereof AIFM2, FECH, GPX4 ENPP2 3907/4885RXRA 4579/4885RXRB 4434/4885

“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.