SCHEMBL3454512

SCHEMBL3454512

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
EPHX2 P34913 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3454265 0.87 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1L3MBTL1NPSR1
SCHEMBL3454445 0.86 MEN1 (0.42) ALDH1A1KMT2AMEN1L3MBTL1NPSR1
SCHEMBL3454439 0.82 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1L3MBTL1NPSR1
SCHEMBL12021013 0.81 KMT2A (0.38) ALDH1A1KMT2AMEN1L3MBTL1NPSR1
SCHEMBL12267394 0.81 ALDH1A1 (0.32) ALDH1A1KMT2AMEN1L3MBTL1NPSR1
SCHEMBL12267392 0.81 ALDH1A1 (0.32) ALDH1A1KMT2AMEN1L3MBTL1NPSR1
SCHEMBL365663 0.79 SMN1; SMN2 (0.39) ALDH1A1KMT2AMEN1L3MBTL1NPSR1
SCHEMBL9924470 0.79 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1L3MBTL1NPSR1
SCHEMBL9924476 0.77 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1L3MBTL1NPSR1
SCHEMBL20349638 0.77 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1L3MBTL1TSHR

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 1502/4885KMT2A 496/4885MEN1 344/4885

“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.