Sugi Predict

Sugi Predict / Compounds / SCHEMBL19458673

SCHEMBL19458673

SCHEMBL19458673

CCOC(CCCCCCCCC/C=C\CCOS(C)(=O)=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ LPAR3 Q9UBY5 4/20 0.31
▸ LPAR2 Q9HBW0 3/20 0.30
▸ LPAR1 Q92633 2/20 0.30
▸ PPARA Q07869 2/20 0.30
▸ FAAH O00519 2/20 0.30
▸ TRPV1 Q8NER1 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
SCHEMBL6049577 0.82 TSHR (0.58) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL29621444 0.77 FAAH (0.33) ALDH1A1FAAHTRPV1
SCHEMBL29621334 0.77 FAAH (0.33) ALDH1A1FAAHTRPV1
SCHEMBL29621017 0.77 FAAH (0.33) ALDH1A1FAAHTRPV1
SCHEMBL19458703 0.77 FAAH (0.33) ALDH1A1FAAHTRPV1
SCHEMBL29621101 0.77 FAAH (0.33) ALDH1A1FAAHTRPV1
SCHEMBL19458671 0.77 FAAH (0.33) ALDH1A1FAAHTRPV1
SCHEMBL29621566 0.77 FAAH (0.33) ALDH1A1FAAHTRPV1
SCHEMBL19458798 0.77 FAAH (0.33) ALDH1A1FAAHTRPV1
SCHEMBL29621424 0.77 FAAH (0.33) ALDH1A1FAAHTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107304163-B Method for producing aliphatic aldehyde compound having terminal conjugated diene structure and intermediate for use in said method 信越化学工业株式会社 2020-12-25 — — CN disclosed
EP-3235798-B1 METHOD OF PRODUCING ALIPHATIC ALDEHYDE COMPOUND HAVING TERMINAL CONJUGATED DIENE STRUCTURE AND INTERMEDIATE THEREFOR SHINETSU CHEMICAL CO (JP) 2018-11-07 — — EP disclosed
US-10040742-B2 Method of producing aliphatic aldehyde compound having terminal conjugated diene structure and intermediate therefor SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-08-07 — — US disclosed
CN-107304163-A Produce the method for the aliphatic aldehyde compound with end conjugated diene structure and the intermediate for methods described 信越化学工业株式会社 2017-10-31 — — CN disclosed
EP-3235798-A1 METHOD OF PRODUCING ALIPHATIC ALDEHYDE COMPOUND HAVING TERMINAL CONJUGATED DIENE STRUCTURE AND INTERMEDIATE THEREFOR Shin-Etsu Chemical Co., Ltd. (JP) 2017-10-25 — — EP disclosed
US-20170297987-A1 METHOD OF PRODUCING ALIPHATIC ALDEHYDE COMPOUND HAVING TERMINAL CONJUGATED DIENE STRUCTURE AND INTERMEDIATE THEREFOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-10-19 — — 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-20170297987-A1 METHOD OF PRODUCING ALIPHATIC ALDEHYDE COMPOUND HAVING TERMINAL CONJUGATED DIENE STRUCTURE AND INTERMEDIATE THEREFOR ALDH7A1, ALDH16A1, FAR1 KDM4E 1880/4885USP2 1128/4885ALDH1A1 4/4885
US-10040742-B2 Method of producing aliphatic aldehyde compound having terminal conjugated diene structure and intermediate therefor ALDH7A1, ALDH16A1, FAR1 KDM4E 1880/4885USP2 1128/4885ALDH1A1 4/4885

“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.