Sugi Predict

Sugi Predict / Compounds / SCHEMBL2209491

SCHEMBL2209491

SCHEMBL2209491

CCOC(=O)CCCCCCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.53
▸ KMT2A Q03164 2/20 0.51
▸ MAPT P10636 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ DGKA P23743 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ KDM4C Q9H3R0 2/20 0.46
▸ KDM4A O75164 1/20 0.46
▸ PHF8 Q9UPP1 1/20 0.46
▸ KDM2A Q9Y2K7 1/20 0.46
▸ LMNA P02545 3/20 0.46
▸ POLB P06746 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ PAM P19021 2/20 0.44

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
SCHEMBL18058738 1.00 CYP1A2 (0.53) CYP1A2KMT2AMAPTALDH1A1CYP3A4
SCHEMBL27952099 1.00 CYP1A2 (0.53) CYP1A2KMT2AMAPTALDH1A1CYP3A4
SCHEMBL17000166 1.00 CYP1A2 (0.53) CYP1A2KMT2AMAPTALDH1A1CYP3A4
SCHEMBL19861152 1.00 CYP1A2 (0.53) CYP1A2KMT2AMAPTALDH1A1CYP3A4
SCHEMBL29074095 1.00 CYP1A2 (0.53) CYP1A2KMT2AMAPTALDH1A1CYP3A4
SCHEMBL27896610 1.00 CYP1A2 (0.53) CYP1A2KMT2AMAPTALDH1A1CYP3A4
SCHEMBL17000165 1.00 CYP1A2 (0.53) CYP1A2KMT2AMAPTALDH1A1CYP3A4
SCHEMBL15130566 1.00 CYP1A2 (0.53) CYP1A2KMT2AMAPTALDH1A1CYP3A4
SCHEMBL4087075 1.00 CYP1A2 (0.53) CYP1A2KMT2AMAPTALDH1A1CYP3A4
SCHEMBL952321 0.98 CYP1A2 (0.55) CYP1A2KMT2AMAPTALDH1A1CYP3A4

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
CN-117510359-A Synthesis method of N-benzyl-N-nonanamide compound 中国人民解放军61699部队 2024-02-06 — — CN disclosed
US-9604981-B2 IP receptor agonist heterocyclic compounds NOVARTIS AG (CH) 2017-03-28 — — US disclosed
US-20150376183-A1 IP Receptor Agonist Heterocyclic Compounds NOVARTIS AG (CH) 2015-12-31 — — US disclosed
US-9073932-B2 Substituted pyrrolo[2,3-B]pyrazines for the treatment of disorders and diseases NOVARTIS AG (CH) 2015-07-07 — — US disclosed
EP-1853547-B1 PRODUCTION METHOD OF CAPSINOID BY DEHYDRATING CONDENSATION AND STABILIZING METHOD OF CAPSINOID AJINOMOTO KK (JP) 2014-11-12 — — EP disclosed
US-8765809-B2 Ester derivative and use thereof AJINOMOTO CO., INC. (JP) 2014-07-01 — — US disclosed
EP-2657244-A1 GLYCOSIDE COMPOUND Ajinomoto Co., Inc. (JP) 2013-10-30 — — EP disclosed
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS NOVARTIS AG (CH) 2013-04-25 — — US disclosed
US-20130053441-A1 NOVEL ESTER DERIVATIVE AND USE THEREOF AJINOMOTO CO., INC. (JP) 2013-02-28 — — US disclosed
US-8212068-B2 Ester derivative and use thereof AJINOMOTO CO., INC. (JP) 2012-07-03 — — US disclosed
US-7981460-B2 Substituted benzyl ester derivative and use thereof AJINOMOTO CO., INC. (JP) 2011-07-19 — — US disclosed
US-20100152291-A1 PRODUCTION METHOD OF CAPSINOID BY DEHYDRATING CONDENSATION, STABILIZING METHOD OF CAPSINOID, AND CAPSINOID COMPOSITION AJINOMOTO CO., INC. (JP) 2010-06-17 — — US disclosed
US-7700331-B2 Production method of capsinoid by dehydrating condensation, stabilizing method of capsinoid, and capsinoid composition AJINOMOTO CO., INC. (JP) 2010-04-20 — — US disclosed
US-20090203774-A1 SUBSTITUTED BENZYL ESTER DERIVATIVE AND USE THEREOF AJINOMOTO CO., INC. (JP) 2009-08-13 — — US disclosed
US-20090170942-A1 ESTER DERIVATIVE AND USE THEREOF AJINOMOTO CO. INC (JP) 2009-07-02 — — US disclosed
EP-1853547-A1 PRODUCTION METHOD OF CAPSINOID BY DEHYDRATING CONDENSATION, STABILIZING METHOD OF CAPSINOID, AND CAPSINOID COMPOSITION Ajinomoto Co., Inc. (JP) 2007-11-14 — — EP disclosed
US-20070020738-A1 produced in a high yield in a short time using an enzyme; capsinoid can be stably preserved by coexistence of a fatty acid; enables industrially production AJINOMOTO CO., INC (JP) 2007-01-25 — — US disclosed
WO-2006088239-A1 PRODUCTION METHOD OF CAPSINOID BY DEHYDRATING CONDENSATION, STABILIZING METHOD OF CAPSINOID, AND CAPSINOID COMPOSITION AJINOMOTO CO., INC. (JP) 2006-08-24 — — WO 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 (6 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-20150376183-A1 IP Receptor Agonist Heterocyclic Compounds PTGIR, GPR68, GPR84 CYP1A2 1782/4885KMT2A 3852/4885MAPT 4884/4885
US-20130053441-A1 NOVEL ESTER DERIVATIVE AND USE THEREOF MEP1A, CES2, MEP1B CYP1A2 188/4885KMT2A 930/4885MAPT 4364/4885
US-20090170942-A1 ESTER DERIVATIVE AND USE THEREOF MEP1A, CES2, F8 CYP1A2 148/4885KMT2A 830/4885MAPT 4201/4885
US-20130102611-A1 IP RECEPTOR AGONIST HETEROCYCLIC COMPOUNDS PTGIR, ACVR1, PTGFR CYP1A2 2264/4885KMT2A 3644/4885MAPT 4884/4885
US-20090203774-A1 SUBSTITUTED BENZYL ESTER DERIVATIVE AND USE THEREOF MEP1B, EBP, MEP1A CYP1A2 36/4885KMT2A 831/4885MAPT 4412/4885
US-20100152291-A1 PRODUCTION METHOD OF CAPSINOID BY DEHYDRATING CONDENSATION, STABILIZING METHOD OF CAPSINOID, AND CAPSINOID COMPOSITION FADS2, FADS1, FASN CYP1A2 432/4885KMT2A 2927/4885MAPT 2250/4885

“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.