SCHEMBL3454290

SCHEMBL3454290

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
BPTF Q12830 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
HSD11B1 P28845 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX1 P07099 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL5252701 0.75 ALDH1A1 (0.54) ALDH1A1BPTFSMN1; SMN2GRIN2DGRIN3B
SCHEMBL19895702 0.72 ALDH1A1 (0.52) ALDH1A1BPTFSMN1; SMN2HSD11B1EPHX1
SCHEMBL26750067 0.71 ALDH1A1 (0.50) ALDH1A1BPTFSMN1; SMN2GRIN2DGRIN3B
SCHEMBL1072911 0.71 ALDH1A1 (0.61) ALDH1A1BPTFSMN1; SMN2HSD11B1KMT2A
SCHEMBL5405600 0.70 ALDH1A1 (0.44) ALDH1A1CA12CA1CA2CA9
SCHEMBL19895701 0.70 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA9
SCHEMBL10426205 0.68 ALDH1A1 (0.47) ALDH1A1BPTFSMN1; SMN2GRIN2DGRIN3B
SCHEMBL1073599 0.68 ALDH1A1 (0.57) ALDH1A1BPTFSMN1; SMN2HSD11B1MEN1
SCHEMBL10426203 0.68 ALDH1A1 (0.47) ALDH1A1BPTFSMN1; SMN2GRIN2DGRIN3B
SCHEMBL8959198 0.68 ALDH1A1 (0.52) ALDH1A1BPTFSMN1; SMN2HSD11B1MEN1

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 1502/4885CA12 1545/4885CA1 471/4885

“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.