SCHEMBL3454443

SCHEMBL3454443

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
SLC22A2 O15244 1/20 0.33
SLC47A1 Q96FL8 1/20 0.33
EPHX2 P34913 5/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DPP4 P27487 1/20 0.31
TSHR P16473 1/20 0.31
EPHX1 P07099 1/20 0.30
CYP17A1 P05093 2/20 0.30
CYP19A1 P11511 2/20 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
SCHEMBL6920723 0.84 ALDH1A1 (0.42) ALDH1A1NPC1SLC22A2SLC47A1EPHX2
SCHEMBL3454512 0.75 ALDH1A1 (0.39) ALDH1A1EPHX2MEN1KMT2ATSHR
SCHEMBL3454650 0.75 EPHX1 (0.31) TSHREPHX1
SCHEMBL17752177 0.74 NPC1 (0.35) ALDH1A1NPC1SLC22A2SLC47A1EPHX2
SCHEMBL12013176 0.73 TSHR (0.41) ALDH1A1TSHR
SCHEMBL3454445 0.73 MEN1 (0.42) ALDH1A1EPHX2MAPTMEN1KMT2A
SCHEMBL28113034 0.72 SLC22A2 (0.43) ALDH1A1NPC1SLC22A2SLC47A1EPHX2
SCHEMBL21122438 0.72 ALDH1A1 (0.39) ALDH1A1NPC1EPHX2MEN1KMT2A
SCHEMBL15836473 0.72 ALDH1A1 (0.37) ALDH1A1NPC1SLC22A2SLC47A1EPHX2
SCHEMBL3456592 0.72 HSD11B1 (0.32) EPHX2TSHR

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 1502/4885NPC1 3770/4885SLC22A2 4584/4885

“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.