SCHEMBL3455033

SCHEMBL3455033

C=C(C)C(CC12CC3CC(CC(C3)C1)C2)OC(CC12CC3CC(CC(C3)C1)C2)C(=C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.35
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
ALDH1A1 P00352 4/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
MEN1 O00255 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
EPHX2 P34913 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL365663 0.69 SMN1; SMN2 (0.39) KMT2AALDH1A1MEN1SMN1; SMN2HSD17B10
SCHEMBL5306258 0.67 GRIN2D (0.42) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3455038 0.67 SLC22A2 (0.40) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5252707 0.66 GRIN2D (0.46) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3868639 0.66 GRIN2D (0.41) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17471368 0.64 ALDH1A1 (0.40) KMT2AALDH1A1MEN1SMN1; SMN2HSD17B10
SCHEMBL3511589 0.63 SLC22A2 (0.50) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28779402 0.63 GRIN2D (0.48) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14998978 0.63 GRIN2D (0.38) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL236361 0.62 GRIN2D (0.52) KMT2AGRIN2DGRIN3BGRIN1GRIN2A

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 KMT2A 496/4885GRIN2D 1565/4885GRIN3B 2221/4885

“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.