SCHEMBL3335282

SCHEMBL3335282

CC(/C=N/O)C(=O)NCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.46
TSHR P16473 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
CA9 Q16790 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 2/20 0.43
EPHX2 P34913 1/20 0.43
CYP2D6 P10635 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL3336812 0.83 KMT2A (0.52) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL13581 0.83 EPHX1 (0.55) EPHX1TSHRCA12CA1CA2
SCHEMBL19652274 0.83 EPHX1 (0.55) EPHX1TSHRCA12CA1CA2
SCHEMBL12026402 0.81 EPHX1 (0.52) EPHX1TSHRCA12CA1CA2
SCHEMBL4432505 0.80 L3MBTL1 (0.40) EPHX1ALDH1A1L3MBTL1KMT2ATDP1
SCHEMBL15199665 0.77 EPHX1 (0.47) EPHX1TSHRCA12CA1CA2
SCHEMBL27770664 0.76 EPHX1 (0.52) EPHX1TSHRCA12CA1CA2
SCHEMBL3220227 0.76 EPHX1 (0.52) EPHX1TSHRCA12CA1CA2
SCHEMBL9779 0.73 TDP1 (0.53) EPHX1TSHRCA12CA1CA2
SCHEMBL3224826 0.73 TSHR (0.49) EPHX1TSHRCA12CA1CA2

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-20100145057-A1 NOVEL PRODRUGS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2010-06-10 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-20100145057-A1 NOVEL PRODRUGS UGT2B7, UGT1A1, UGT1A6 EPHX1 350/4885TSHR 3135/4885CA12 693/4885

“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.