SCHEMBL3454265

SCHEMBL3454265

C=C(C(=O)OC(OCC12CC3CC(CC(C3)C1)C2)C(C)C)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TGM2 P21980 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCN9A Q15858 3/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
EPHX1 P07099 1/20 0.30
EPHX2 P34913 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3454512 0.87 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AL3MBTL1NPSR1
SCHEMBL3455635 0.82 TGM2 (0.32) NPSR1TGM2
SCHEMBL3454439 0.77 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1NPSR1
SCHEMBL5942019 0.76 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AL3MBTL1TGM2
SCHEMBL9924476 0.75 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1NPSR1
SCHEMBL5942590 0.75 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATGM2SCN9A
SCHEMBL9924470 0.75 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AL3MBTL1NPSR1
SCHEMBL3454445 0.74 MEN1 (0.42) ALDH1A1MEN1KMT2AL3MBTL1NPSR1
SCHEMBL3455586 0.74 HSD11B1 (0.32)
SCHEMBL12021013 0.70 KMT2A (0.38) ALDH1A1MEN1KMT2AL3MBTL1NPSR1

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-8420290-B2 Acetal compounds and their preparation, polymers, resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD (JP) 2013-04-16 US disclosed
US-20100136485-A1 ACETAL COMPOUNDS AND THEIR PREPARATION, POLYMERS, RESIST COMPOSITIONS AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-06-03 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-20100136485-A1 ACETAL COMPOUNDS AND THEIR PREPARATION, POLYMERS, RESIST COMPOSITIONS AND PATTERNING PROCESS C9, ARF1, C1R ALDH1A1 1502/4885MEN1 344/4885KMT2A 496/4885

“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.