SCHEMBL3613541

SCHEMBL3613541

O=C1CCC(C2OCCO2)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ PTPN1 P18031 1/20 0.32
▸ TRIM24 O15164 1/20 0.30
▸ TRIM33 Q9UPN9 1/20 0.30
▸ ESR2 Q92731 1/20 0.30

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
SCHEMBL5119893 0.95 ALDH1A1 (0.32) ALDH1A1LMNATP53TSHRPTPN1
SCHEMBL18032045 0.91 TRIM24 (0.33) ALDH1A1LMNATP53TSHRPTPN1
SCHEMBL18032031 0.87 TRIM24 (0.31) TRIM24TRIM33
SCHEMBL18018647 0.79 ALDH1A1 (0.42) ALDH1A1LMNATP53TSHRPTPN1
SCHEMBL13604642 0.78 CA1 (0.31) —
SCHEMBL5643237 0.75 ESR2 (0.30) ESR2
SCHEMBL19015223 0.74 — —
SCHEMBL510704 0.74 TRIM24 (0.44) ALDH1A1TRIM24TRIM33ESR2
SCHEMBL12917684 0.73 — —
SCHEMBL19421004 0.73 CYP3A4 (0.33) LMNATP53TSHRPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657230-B2 Alkenyl dioxane compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-23 — — US disclosed
US-9657230-B2 Alkenyl dioxane compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-05-23 — — US disclosed
US-20160280996-A1 ALKENYL DIOXANE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-09-29 — — US disclosed
US-20160280996-A1 ALKENYL DIOXANE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-09-29 — — US disclosed
US-20150184075-A1 Liquid Crystal Composition Having Negative Dielectric Anisotropy SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2015-07-02 — — US disclosed
US-20150184075-A1 Liquid Crystal Composition Having Negative Dielectric Anisotropy SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2015-07-02 — — US disclosed
US-8318718-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-11-27 — — US disclosed
US-8318718-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-11-27 — — US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 — — US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 — — US disclosed
US-20100105714-A1 Furanone Compounds and Methods of Making and Using The Same BIOGEN IDEC MA INC. (US) 2010-04-29 — — US disclosed
US-20100105714-A1 Furanone Compounds and Methods of Making and Using The Same BIOGEN IDEC MA INC. (US) 2010-04-29 — — US disclosed
US-20100105714-A1 Furanone Compounds and Methods of Making and Using The Same BIOGEN IDEC MA INC. (US) 2010-04-29 — — US disclosed
EP-2121669-A2 FURANONE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA, Inc. (US) 2009-11-25 — — EP disclosed
WO-2008094574-A2 FURANONE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2008-08-07 — — WO disclosed
WO-2008094574-A2 FURANONE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2008-08-07 — — WO disclosed
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 — — EP disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 — — 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 (4 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-20160280996-A1 ALKENYL DIOXANE COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, HAX1 ALDH1A1 118/4885LMNA 619/4885TP53 4189/4885
US-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A ALDH1A1 3199/4885LMNA 768/4885TP53 3641/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A ALDH1A1 640/4885LMNA 4732/4885TP53 4354/4885
US-20100105714-A1 Furanone Compounds and Methods of Making and Using The Same ALK, ACVR1, ACVR1B ALDH1A1 199/4885LMNA 1134/4885TP53 2857/4885

“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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