SCHEMBL21889796

SCHEMBL21889796

O=C(c1ccc(-c2ccc(OCCCO)cc2)cc1)c1ccc(-c2ccc(OCCCO)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.69
▸ PPARA Q07869 2/20 0.54
▸ LSS P48449 2/20 0.54
▸ RARB P10826 5/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ PSMB1 P20618 1/20 0.49
▸ PSMB5 P28074 1/20 0.49
▸ PSMB2 P49721 1/20 0.49
▸ NR1I2 O75469 1/20 0.49
▸ CHEK2 O96017 1/20 0.48
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL10592808 0.94 GAA (0.70) GAAPPARALSSL3MBTL1PSMB1
SCHEMBL1816349 0.88 GAA (0.85) GAAPPARALSSL3MBTL1PSMB1
SCHEMBL5396195 0.87 GAA (0.83) GAAPPARALSSL3MBTL1MAPT
SCHEMBL29102525 0.87 GAA (0.66) GAAPPARALSSRARBL3MBTL1
SCHEMBL8660388 0.86 ALDH1A1 (0.56) GAALSSRARBL3MBTL1NR1I2
SCHEMBL2719251 0.86 ALDH1A1 (0.56) GAALSSRARBL3MBTL1NR1I2
SCHEMBL13299419 0.86 GAA (0.60) GAAPPARALSSL3MBTL1LMNA
SCHEMBL29102522 0.86 GAA (0.87) GAAPPARARARBL3MBTL1MAPT
SCHEMBL14901527 0.84 GAA (0.72) GAAPPARALSSRARBL3MBTL1
SCHEMBL21889396 0.83 HTT (0.62) GAAPPARALSSRARBL3MBTL1

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-10954183-B2 Curable composition, semi-cured product, cured product, optical member, lens, and compound FUJIFILM CORPORATION (JP) 2021-03-23 — — US disclosed
US-20200115316-A1 CURABLE COMPOSITION, SEMI-CURED PRODUCT, CURED PRODUCT, OPTICAL MEMBER, LENS, AND COMPOUND FUJIFILM CORPORATION (JP) 2020-04-16 — — 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 (2 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-20200115316-A1 CURABLE COMPOSITION, SEMI-CURED PRODUCT, CURED PRODUCT, OPTICAL MEMBER, LENS, AND COMPOUND CRYAA, Q6ZSR9, CRYZ GAA 3348/4885PPARA 4350/4885LSS 361/4885
US-10954183-B2 Curable composition, semi-cured product, cured product, optical member, lens, and compound CRYAA, Q6ZSR9, CRYZ GAA 3348/4885PPARA 4350/4885LSS 361/4885

“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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