SCHEMBL4662785

SCHEMBL4662785

COC(=O)[C@@H]1N=C(c2ccccc2)O[C@H]1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.38
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MMP9 P14780 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAOB P27338 1/20 0.36
USP1 O94782 1/20 0.36
WDR48 Q8TAF3 1/20 0.36
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL14116707 1.00 NAAA (0.38) NAAAHSD17B10ALDH1A1MMP9LMNA
SCHEMBL30559598 1.00 NAAA (0.38) NAAAHSD17B10ALDH1A1MMP9LMNA
SCHEMBL19365539 0.82 ALDH1A1 (0.40) HSD17B10ALDH1A1MMP9MAOBUSP1
SCHEMBL231311 0.82 CYP2D6 (0.41) NAAAHSD17B10ALDH1A1MMP9MAOB
SCHEMBL6751629 0.82 CYP2D6 (0.41) NAAAHSD17B10ALDH1A1MMP9MAOB
SCHEMBL6428933 0.82 ALDH1A1 (0.40) HSD17B10ALDH1A1MMP9MAOBUSP1
SCHEMBL159785 0.82 CYP2D6 (0.41) NAAAHSD17B10ALDH1A1MMP9MAOB
SCHEMBL14116703 0.82 CYP2D6 (0.41) NAAAHSD17B10ALDH1A1MMP9MAOB
SCHEMBL6428936 0.82 ALDH1A1 (0.40) HSD17B10ALDH1A1MMP9MAOBUSP1
SCHEMBL8030536 0.74 NPC1 (0.37) ALDH1A1MMP9MAOBUSP1WDR48

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-20080064736-A1 Substituted 2-Pyrrolidone Derivatives as Fungicides and Insecticides BAYER CROPSCIENCE AG (DE) 2008-03-13 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-20080064736-A1 Substituted 2-Pyrrolidone Derivatives as Fungicides and Insecticides DDT, PPM1F, PPM1D NAAA 3372/4885HSD17B10 902/4885ALDH1A1 1151/4885

“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.