SCHEMBL20125905

SCHEMBL20125905

C=CC(=O)N(C)CCCOC(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.31
PRKCA P17252 2/20 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
SCHEMBL20125862 0.95 TSHR (0.38) TSHRHPGDALDH1A1CYP3A4CHRM2
SCHEMBL20125820 0.90 POLB (0.34) TSHRHPGDCYP3A4CHRM2CHRM4
SCHEMBL20125869 0.83 TSHR (0.35) TSHRHPGDALDH1A1CYP3A4POLB
SCHEMBL20125825 0.81 ALDH1A1 (0.44) TSHRHPGDALDH1A1CYP3A4CHRM2
SCHEMBL18071320 0.81 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4GAA
SCHEMBL20125843 0.81 ZDHHC20 (0.39) TSHRHPGDALDH1A1CYP3A4CHRM2
SCHEMBL20126048 0.80 TSHR (0.33) TSHRHPGDALDH1A1CYP3A4CHRM2
SCHEMBL20126046 0.80 ZDHHC20 (0.44) TSHRHPGDALDH1A1CYP3A4CHRM2
SCHEMBL20125877 0.80 ZDHHC20 (0.41) TSHRHPGDALDH1A1CYP3A4CHRM2
SCHEMBL20125854 0.79 NAAA (0.46) TSHRHPGDALDH1A1CYP3A4CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230135413-A1 CURABLE WATER-BASED COMPOSITION, ACTIVE-ENERGY-RAY-CURABLE WATER-BASED COMPOSITION, ACTIVE-ENERGY-RAY-CURABLE WATER-BASED INK, STORED CONTAINER, TWO-DIMENSIONAL OR THREE-DIMENSIONAL IMAGE FORMING APPARATUS, TWO-DIMENSIONAL OR THREE-DIMENSIONAL IMAGE FORMING METHOD, CURED PRODUCT, AND DECORATED BODY RICOH COMPANY, LTD. (JP) 2023-05-04 US disclosed
US-20230135413-A1 CURABLE WATER-BASED COMPOSITION, ACTIVE-ENERGY-RAY-CURABLE WATER-BASED COMPOSITION, ACTIVE-ENERGY-RAY-CURABLE WATER-BASED INK, STORED CONTAINER, TWO-DIMENSIONAL OR THREE-DIMENSIONAL IMAGE FORMING APPARATUS, TWO-DIMENSIONAL OR THREE-DIMENSIONAL IMAGE FORMING METHOD, CURED PRODUCT, AND DECORATED BODY RICOH COMPANY, LTD. (JP) 2023-05-04 US disclosed
US-11529302-B2 Composition, artificial nail composition, nail decoration material, artificial nail, stored container, image forming apparatus, and image forming method RICOH COMPANY, LTD. (JP) 2022-12-20 US disclosed
US-20210155814-A1 ACTIVE-ENERGY-RAY-CURABLE AQUEOUS COMPOSITION, ACTIVE-ENERGY-RAY-CURABLE AQUEOUS INK, STORED CONTAINER, IMAGE FORMING APPARATUS, IMAGE FORMING METHOD, CURED PRODUCT, AND DECORATED PRODUCT RICOH COMPANY, LTD. (JP) 2021-05-27 US disclosed
US-20210061929-A1 ACTIVE-ENERGY-RAY-CURABLE COMPOSITION, ACTIVE-ENERGY-RAY-CURABLE INK, COMPOSITION STORED CONTAINER, TWO-DIMENSIONAL OR THREE-DIMENSIONAL IMAGE FORMING METHOD AND APPARATUS, CURED PRODUCT, AND DECORATED PRODUCT RICOH COMPANY, LTD. (JP) 2021-03-04 US disclosed
US-20200299425-A1 ACTIVE ENERGY RAY CURABLE COMPOSITION, ACTIVE ENERGY RAY CURABLE INK, COMPOSITION ACCOMMODATING CONTAINER, TWO OR THREE DIMENSIONAL IMAGE FORMING APPARATUS, TWO OR THREE DIMENSIONAL IMAGE FORMING METHOD, CURED MATTER, DECORATIVE MATTER, ARTIFICIAL NAIL COMPOSITION, NAIL DECORATIVE MATERIAL, AND ARTIFICIAL NAIL RICOH COMPANY, LTD. (JP) 2020-09-24 US disclosed
US-10781325-B2 Curable composition, curable ink, accommodating container, image forming device, image forming method, cured matter, and acrylamide compound RICOH COMPANY, LTD. (JP) 2020-09-22 US disclosed
US-20200038310-A1 COMPOSITION, ARTIFICIAL NAIL COMPOSITION, NAIL DECORATION MATERIAL, ARTIFICIAL NAIL, STORED CONTAINER, IMAGE FORMING APPARATUS, AND IMAGE FORMING METHOD RICOH COMPANY, LTD. (JP) 2020-02-06 US disclosed
US-20200038309-A1 COMPOSITION, ARTIFICIAL NAIL COMPOSITION, NAIL DECORATION MATERIAL, ARTIFICIAL NAIL, STORED CONTAINER, IMAGE FORMING APPARATUS, AND IMAGE FORMING METHOD RICOH COMPANY, LTD. (JP) 2020-02-06 US disclosed
US-20180127607-A1 CURABLE COMPOSITION, CURABLE INK, ACCOMMODATING CONTAINER, IMAGE FORMING DEVICE, IMAGE FORMING METHOD, CURED MATTER, AND ACRYLAMIDE COMPOUND RICOH COMPANY, LTD. (JP) 2018-05-10 US disclosed
US-20180127607-A1 CURABLE COMPOSITION, CURABLE INK, ACCOMMODATING CONTAINER, IMAGE FORMING DEVICE, IMAGE FORMING METHOD, CURED MATTER, AND ACRYLAMIDE COMPOUND RICOH COMPANY, LTD. (JP) 2018-05-10 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 (5 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-10781325-B2 Curable composition, curable ink, accommodating container, image forming device, image forming method, cured matter, and acrylamide compound CRYAA, CDKN1A, ACR TSHR 4587/4885HPGD 3636/4885ALDH1A1 498/4885
US-20180127607-A1 CURABLE COMPOSITION, CURABLE INK, ACCOMMODATING CONTAINER, IMAGE FORMING DEVICE, IMAGE FORMING METHOD, CURED MATTER, AND ACRYLAMIDE COMPOUND CRYAA, CDKN1A, ACR TSHR 4587/4885HPGD 3636/4885ALDH1A1 498/4885
US-20200038309-A1 COMPOSITION, ARTIFICIAL NAIL COMPOSITION, NAIL DECORATION MATERIAL, ARTIFICIAL NAIL, STORED CONTAINER, IMAGE FORMING APPARATUS, AND IMAGE FORMING METHOD NACA, PIK3C3, DPM1 TSHR 1601/4885HPGD 3964/4885ALDH1A1 1704/4885
US-20200038310-A1 COMPOSITION, ARTIFICIAL NAIL COMPOSITION, NAIL DECORATION MATERIAL, ARTIFICIAL NAIL, STORED CONTAINER, IMAGE FORMING APPARATUS, AND IMAGE FORMING METHOD NACA, PIK3C3, ACR TSHR 1730/4885HPGD 4478/4885ALDH1A1 2115/4885
US-11529302-B2 Composition, artificial nail composition, nail decoration material, artificial nail, stored container, image forming apparatus, and image forming method NACA, PIK3C3, ACR TSHR 1730/4885HPGD 4478/4885ALDH1A1 2115/4885

“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.