SCHEMBL12032254

SCHEMBL12032254

C=CC(=O)OCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ KIF11 P52732 2/20 0.40
▸ EPHB4 P54760 1/20 0.39
▸ TEK Q02763 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ RECQL P46063 1/20 0.38

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
SCHEMBL12032239 0.90 THRB (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26362335 0.82 ELANE (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12032213 0.79 RXRA (0.43) ALDH1A1HIF1ATP53CYP3A4LMNA
SCHEMBL26362324 0.77 THRB (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10002221 0.76 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL26116339 0.76 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CYP3A4APEX1TDP1
SCHEMBL26118948 0.76 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CYP3A4APEX1TDP1
SCHEMBL12039352 0.73 THRB (0.65) ALDH1A1SMN1; SMN2HIF1ATP53LMNA
SCHEMBL8816210 0.72 CYP3A4 (0.46) ALDH1A1SMN1; SMN2MAPK1HIF1ATP53
SCHEMBL34007 0.72 MAPT (0.54) ALDH1A1SMN1; SMN2MAPK1LMNAALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8335148-B2 Polymerizable compound, polymerizable composition, optical material, optical element and optical head device ASAHI GLASS COMPANY, LIMITED (JP) 2012-12-18 — — US disclosed
US-8335148-B2 Polymerizable compound, polymerizable composition, optical material, optical element and optical head device ASAHI GLASS COMPANY, LIMITED (JP) 2012-12-18 — — US disclosed
US-20110310721-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL, OPTICAL ELEMENT AND OPTICAL HEAD DEVICE ASAHI GLASS COMPANY, LIMITED (JP) 2011-12-22 — — US disclosed
US-20110310721-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL, OPTICAL ELEMENT AND OPTICAL HEAD DEVICE ASAHI GLASS COMPANY, LIMITED (JP) 2011-12-22 — — 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-20110310721-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL, OPTICAL ELEMENT AND OPTICAL HEAD DEVICE H1-0, H1-2, SUV39H2 GRIN2D 1742/4885GRIN3B 3552/4885GRIN1 2371/4885

“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.

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