SCHEMBL3454445

SCHEMBL3454445

C=C(C)C(=O)OC(OCCC12CC3CC(CC(C3)C1)C2)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 3/20 0.35
EPHX2 P34913 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 1/20 0.33
MAPK1 P28482 1/20 0.32
NTSR1 P30989 1/20 0.32
HTT P42858 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32

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 0.86 ALDH1A1 (0.39) MEN1KMT2AALDH1A1L3MBTL1CA9
SCHEMBL5001405 0.78 MEN1 (0.56) MEN1KMT2AALDH1A1MAPTATM
SCHEMBL3454653 0.77 HSD11B1 (0.32)
SCHEMBL365663 0.77 SMN1; SMN2 (0.39) MEN1KMT2AALDH1A1L3MBTL1NPSR1
SCHEMBL5078797 0.75 TSHR (0.41) ALDH1A1
SCHEMBL3455021 0.74 HSD11B1 (0.33) ALDH1A1
SCHEMBL3454265 0.74 ALDH1A1 (0.36) MEN1KMT2AALDH1A1L3MBTL1CA9
SCHEMBL3454443 0.73 ALDH1A1 (0.36) MEN1KMT2AALDH1A1MAPTEPHX2
SCHEMBL952170 0.71 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTATM
SCHEMBL5080667 0.71 TSHR (0.42) ALDH1A1LMNA

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 MEN1 344/4885KMT2A 496/4885ALDH1A1 1502/4885

“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.