SCHEMBL10128627

SCHEMBL10128627

BC1=NOC(C(=O)OCC)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MIF P14174 3/20 0.37
▸ PPM1B O75688 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PPP1CC P36873 1/20 0.36
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL4764842 0.84 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL473028 0.83 CA1 (0.38) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL12461232 0.81 CYP4F2 (0.37) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL25398102 0.80 MLYCD (0.41) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL12461336 0.79 CYP4F2 (0.36) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL24517870 0.79 PPM1B (0.36) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL25061570 0.79 ALDH1A1 (0.35) ALDH1A1KDM4EMEN1GAAMAPT
Hydrochloric Acid SCHEMBL25399110 0.78 CYP4F2 (0.35) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL1237633 0.76 CA1 (0.37) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL24518104 0.75 THRB (0.38) ALDH1A1MEN1MAPTHPGDKMT2A

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-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2012-01-12 — — 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-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FASN ALDH1A1 544/4885KDM4E 1727/4885MEN1 4258/4885

“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.

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