SCHEMBL21889797

SCHEMBL21889797

C=C(C)C(=O)OCCCOc1ccc(-c2ccc(C(=O)c3ccc(-c4ccc(OCCCOC(=O)C(=C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.68
▸ POLB P06746 2/20 0.68
▸ APEX1 P27695 1/20 0.68
▸ TDP1 Q9NUW8 1/20 0.68
▸ ELANE P08246 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ GAA P10253 2/20 0.48
▸ RARB P10826 5/20 0.47
▸ PPARA Q07869 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PPARG P37231 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PLA2G4B P0C869 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL21889396 0.95 HTT (0.62) HTTPOLBAPEX1TDP1ELANE
SCHEMBL21889394 0.91 POLB (0.58) HTTPOLBAPEX1TDP1ELANE
SCHEMBL15084291 0.91 HTT (0.81) HTTPOLBAPEX1TDP1ELANE
SCHEMBL14400544 0.90 HTT (0.73) HTTPOLBAPEX1TDP1L3MBTL1
SCHEMBL13289974 0.88 HTT (0.76) HTTPOLBAPEX1TDP1L3MBTL1
SCHEMBL16982216 0.88 HTT (0.76) HTTPOLBAPEX1TDP1L3MBTL1
SCHEMBL13220831 0.88 HTT (0.76) HTTPOLBAPEX1TDP1L3MBTL1
SCHEMBL10050687 0.88 HTT (0.60) HTTPOLBAPEX1TDP1ELANE
SCHEMBL21888879 0.88 HTT (0.57) HTTPOLBAPEX1TDP1ELANE
SCHEMBL21888880 0.87 TDP1 (0.56) HTTPOLBAPEX1TDP1ELANE

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 HTT 698/4885POLB 3686/4885APEX1 4544/4885
US-10954183-B2 Curable composition, semi-cured product, cured product, optical member, lens, and compound CRYAA, Q6ZSR9, CRYZ HTT 698/4885POLB 3686/4885APEX1 4544/4885

“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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