SCHEMBL1608894

SCHEMBL1608894

C=C(CCC)C(=O)ON1CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
NSD2 O96028 1/20 0.32
TTR P02766 1/20 0.32
FFAR3 O14843 2/20 0.31
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
TSHR P16473 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
SCHEMBL1085783 0.92 L3MBTL1 (0.35) ALDH1A1CES2CES1NSD2TTR
SCHEMBL1086379 0.91 L3MBTL1 (0.37) ALDH1A1
SCHEMBL3365841 0.88 TSHR (0.39) ALDH1A1TSHR
SCHEMBL9368260 0.83
SCHEMBL27971687 0.77
SCHEMBL27950637 0.76 HTT (0.30)
SCHEMBL10937047 0.74 HTT (0.33) ALDH1A1TSHR
SCHEMBL28176967 0.74 FAAH (0.44) NSD2TTRTSHR
SCHEMBL1535851 0.74
SCHEMBL21723742 0.72 SIGMAR1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230087596-A1 ESTER COMPOUND, METHOD FOR PRODUCING SAME, POLYMER, THERMOSETTING RESIN COMPOSITION AND CURED FILM KYOEISHA CHEMICAL CO., LTD. (JP) 2023-03-23 US disclosed
EP-3988301-A1 CURABLE RESIN COMPOSITION, CURED FILM, COATED RESIN MOLDED BODY AND MULTILAYER FILM Kyoeisha Chemical Co., Ltd. (JP) 2022-04-27 EP disclosed
EP-3950745-A1 AQUEOUS THERMOSETTING RESIN COMPOSITION AND CURED FILM Kyoeisha Chemical Co., Ltd. (JP) 2022-02-09 EP disclosed
US-11155705-B2 Unsaturated group-containing ester compound, polymer, thermosetting resin composition, and cured film KYOEISHA CHEMICAL CO., LTD. (JP) 2021-10-26 US disclosed
US-20160280930-A1 THERMOSETTING POWDER COATING MATERIAL AND COATED ARTICLE FUJIFILM BUSINESS INNOVATION CORP. (JP) 2016-09-29 US disclosed
US-9096695-B2 Method for producing an aqueous emulsion UNIMATEC CO., LTD. (JP) 2015-08-04 US disclosed
US-20110086962-A1 METHOD FOR PRODUCING AN AQUEOUS EMULSION UNIMATEC CO., LTD. (JP) 2011-04-14 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-11155705-B2 Unsaturated group-containing ester compound, polymer, thermosetting resin composition, and cured film RER1, ELOVL5, ALOX5 ALDH1A1 1418/4885CES2 207/4885CES1 87/4885
US-20230087596-A1 ESTER COMPOUND, METHOD FOR PRODUCING SAME, POLYMER, THERMOSETTING RESIN COMPOSITION AND CURED FILM RER1, EMG1, SETDB1 ALDH1A1 1084/4885CES2 421/4885CES1 694/4885

“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.