SCHEMBL3455038

SCHEMBL3455038

C=C(C)C(OC(C(=C)C)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.40
SLC47A1 Q96FL8 1/20 0.40
MAPT P10636 1/20 0.39
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
EPHX2 P34913 6/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
DPP4 P27487 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
EPHX1 P07099 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
SCHEMBL28113034 0.69 SLC22A2 (0.43) SLC22A2SLC47A1MAPTALDH1A1NPC1
SCHEMBL3455033 0.67 KMT2A (0.35) ALDH1A1EPHX2SMN1; SMN2MEN1KMT2A
SCHEMBL6920723 0.66 ALDH1A1 (0.42) SLC22A2SLC47A1MAPTALDH1A1NPC1
SCHEMBL7643214 0.66 SLC22A2 (0.48) SLC22A2SLC47A1MAPTALDH1A1NPC1
SCHEMBL25198491 0.64 ALDH1A1 (0.38) SLC22A2SLC47A1MAPTALDH1A1NPC1
Methacrylic Acid SCHEMBL12803308 0.64 ALDH1A1 (0.44) SLC22A2SLC47A1MAPTALDH1A1NPC1
SCHEMBL21122438 0.63 ALDH1A1 (0.39) ALDH1A1NPC1EPHX2SMN1; SMN2DPP4
SCHEMBL23111396 0.63 SLC22A2 (0.50) SLC22A2SLC47A1MAPTALDH1A1NPC1
SCHEMBL27514830 0.62 SLC22A2 (0.44) SLC22A2SLC47A1MAPTALDH1A1NPC1
SCHEMBL6451090 0.62 ALDH1A1 (0.39) SLC22A2SLC47A1MAPTALDH1A1SMN1; SMN2

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 SLC22A2 4584/4885SLC47A1 3958/4885MAPT 3818/4885

“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.