SCHEMBL12032239

SCHEMBL12032239

C=CC(=O)OCC(C)(C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ NPC1 O15118 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 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
SCHEMBL12032254 0.90 GRIN2D (0.41) THRBALDH1A1MAPTMAPK1LMNA
SCHEMBL26362335 0.80 ELANE (0.40) THRBALDH1A1MAPTMAPK1GRIN2D
SCHEMBL1724042 0.78 THRB (0.49) THRBALDH1A1MAPTMAPK1CYP3A4
SCHEMBL18051656 0.77 THRB (0.47) THRBALDH1A1MAPTMAPK1CYP3A4
SCHEMBL26362324 0.76 THRB (0.42) THRBMAPTGRIN2DGRIN3BGRIN1
Biphenyl SCHEMBL17893027 0.76 THRB (0.53) THRBALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL28771131 0.75 THRB (0.45) THRBALDH1A1MAPTMAPK1LMNA
SCHEMBL19846629 0.74 THRB (0.51) THRBALDH1A1MAPK1CYP3A4TP53
Biphenyl SCHEMBL29229525 0.74 THRB (0.54) THRBALDH1A1MAPTMAPK1LMNA
Biphenyl SCHEMBL5899505 0.73 MAPT (0.45) THRBALDH1A1MAPTMAPK1LMNA

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 THRB 552/4885ALDH1A1 4073/4885MAPT 3949/4885

“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.

Send feedback