SCHEMBL9946154

SCHEMBL9946154

CC1(C)OC(c2ccc(C(=O)N3CCOCC3)cc2)OC1(C)C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.59
HPGD P15428 6/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
AKR1C3 P42330 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.49
MAPK1 P28482 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
MLYCD O95822 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.48
DNMT1 P26358 1/20 0.48
PTPN7 P35236 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL9946167 0.87 HPGD (0.59) HPGDALDH1A1L3MBTL1MAPK1TSHR
SCHEMBL1238180 0.81 ALDH1A1 (0.40) HPGDALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL1235917 0.81 ALDH1A1 (0.40) HPGDALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL10720943 0.79 PHGDH (0.81) PHGDHHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL1017455 0.75 PHGDH (0.69) PHGDHHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL12871 0.75 PHGDH (0.69) PHGDHHPGDALDH1A1SMN1; SMN2KDM4E
(4-Chlorophenyl)(Morpholino)Methanone SCHEMBL6937394 0.75 PHGDH (1.00) PHGDHHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL28296651 0.74 HPGD (0.86) PHGDHHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL951497 0.74 PHGDH (0.55) PHGDHHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL28273328 0.74 MAOA (0.73) PHGDHHPGDALDH1A1SMN1; SMN2KDM4E

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 PHGDH 3972/4885HPGD 2142/4885ALDH1A1 4010/4885

“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.