SCHEMBL25759294

SCHEMBL25759294

CCOC(=O)N1CCCCC1OCC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
THRB P10828 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.44
FKBP1A P62942 2/20 0.43
TSHR P16473 2/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 2/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CASP6 P55212 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
RAB9A P51151 1/20 0.39
HCRTR2 O43614 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
SCHEMBL6842695 0.89 ALDH1A1 (0.45) ALDH1A1THRBATML3MBTL1GAA
SCHEMBL27589985 0.88 RAB9A (0.56) ALDH1A1THRBATML3MBTL1GAA
SCHEMBL27895475 0.86 ALDH1A1 (0.49) ALDH1A1THRBATML3MBTL1GAA
Hydrochloric Acid SCHEMBL28206992 0.85 ALDH1A1 (0.47) ALDH1A1THRBATML3MBTL1GAA
SCHEMBL11564117 0.84 CHRM2 (0.43) ALDH1A1THRBATML3MBTL1FKBP1A
SCHEMBL3122087 0.84 ALDH1A1 (0.39) ALDH1A1THRBATML3MBTL1GAA
SCHEMBL27412105 0.84 HPGD (0.46) ALDH1A1L3MBTL1FKBP1AMEN1KMT2A
SCHEMBL11482913 0.83 THRB (0.41) ALDH1A1THRBATML3MBTL1GAA
SCHEMBL11489453 0.82 TMEM97 (0.53) L3MBTL1FKBP1ATSHRKDM4ESMN1; SMN2
SCHEMBL27493968 0.82 ALDH1A1 (0.36) ALDH1A1THRBATML3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192614-A1 METHOD FOR PREPARATION OF TRANS-N-BENZYLOXYCARBONYL-(3-HYDROXY-2-PIPERIDINYL)-2-PROPANONE AS INTERMEDIATE OF HALOFUGINONE CHENGDA PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 US disclosed
WO-2023065610-A1 PREPARATION METHOD FOR HALOFUGINONE INTERMEDIATE TRANS-N-BENZYLOXYCARBONYL-(3-HYDROXY-2-PIPERIDINYL)-2-ACETONE 诚达药业股份有限公司 2023-04-27 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 (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-20230192614-A1 METHOD FOR PREPARATION OF TRANS-N-BENZYLOXYCARBONYL-(3-HYDROXY-2-PIPERIDINYL)-2-PROPANONE AS INTERMEDIATE OF HALOFUGINONE TALDO1, RPL22, RPS20 ALDH1A1 36/4885THRB 1560/4885ATM 4818/4885

“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.