SCHEMBL2780708

SCHEMBL2780708

COc1cc(CNC=O)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
ALOX5 P09917 2/20 0.55
TSHR P16473 2/20 0.55
CYP3A4 P08684 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
GAA P10253 1/20 0.55
NFKB1 P19838 1/20 0.55
AR P10275 1/20 0.55
PTGS1 P23219 1/20 0.55
TRPM8 Q7Z2W7 1/20 0.55
OR51E2 Q9H255 1/20 0.55
TAAR1 Q96RJ0 2/20 0.54
MAPK1 P28482 1/20 0.54
FOS P01100 1/20 0.53
TTR P02766 1/20 0.53
JUN P05412 1/20 0.53
NR3C1 P04150 1/20 0.53
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL30037244 1.00 ALDH1A1 (0.55) ALDH1A1ALOX5TSHRCYP3A4TDP1
SCHEMBL20526456 0.98 ALDH1A1 (0.54) ALDH1A1ALOX5TSHRCYP3A4TDP1
SCHEMBL3307756 0.87 TRPV1 (0.57) ALDH1A1TSHRCYP3A4GAANFKB1
SCHEMBL1486251 0.85 ALDH1A1 (0.60) ALDH1A1TDP1GAALMNA
SCHEMBL5833247 0.84 TAAR1 (0.62) ALDH1A1ALOX5TSHRCYP3A4TDP1
SCHEMBL20526453 0.84 ALDH1A1 (0.56) ALDH1A1TSHRTDP1GAALMNA
SCHEMBL1548853 0.84 ALOX5 (0.60) ALDH1A1ALOX5TSHRCYP3A4TDP1
SCHEMBL5990841 0.82 HTR7 (0.47) ALDH1A1TSHRTDP1GAAMAPK1
SCHEMBL7768865 0.81 FOS (0.62) ALDH1A1TSHRCYP3A4TDP1GAA
SCHEMBL11969383 0.81 TAAR1 (0.62) ALDH1A1ALOX5TSHRCYP3A4TDP1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383200-B1 COMPOSITIONS SYMRISE AG (DE) 2019-11-06 EP claimed
EP-3383200-A1 SUBSTANCE MIXTURES Symrise AG (DE) 2018-10-10 EP claimed
EP-2370177-B1 NOVEL COSMETIC COMPOSITIONS HAVING HAIR GROWTH INHIBITING EFFECT HENKEL AG & CO KGAA (DE) 2017-11-15 EP claimed
US-8329948-B2 Method for the synthesis of substituted formylamines and substituted amines BOBYLEV MIKHAIL (US) 2012-12-11 US claimed
CN-102001958-A Method for synthesizing N-(3,4-dimethoxybenzyl)amide capsaicine homologous compounds UNIV ZHEJIANG 2011-04-06 CN claimed
EP-2175854-A1 IMPROVED METHOD FOR THE SYNTHESIS OF SUBSTITUTED FORMYLAMINES AND SUBSTITUTED AMINES University Of North Dakota Research Foundation (US) 2010-04-21 EP claimed
US-20090143622-A1 Method For The Synthesis Of Substituted Formylamines And Substituted Amines BOBYLEV MIKHAIL 2009-06-04 US claimed
WO-2009018353-A1 IMPROVED METHOD FOR THE SYNTHESIS OF SUBSTITUTED FORMYLAMINES AND SUBSTITUTED AMINES UNIVERSITY OF NORTH DAKOTA RESEARCH FOUNDATION (US) 2009-02-05 WO claimed
CN-116685575-A Novel cooling substances and formulations containing these cooling substances 西姆莱斯股份公司 2023-09-01 CN disclosed
US-20230139835-A1 ALLULOSE IN CRYSTALLINE FORM SAVANNA INGREDIENTS GMBH (DE) 2023-05-04 US disclosed
CN-115968259-A Robust flavor emulsions 国际香精香料公司 2023-04-14 CN disclosed
CN-110621654-B TRPV1 modulator compounds 安塔尔遗传学公司 2022-11-01 CN disclosed
US-11274073-B2 TRPV1 modulator compounds ANTALGENICS, S.L. (ES) 2022-03-15 US disclosed
EP-3621950-B1 TRPV1 MODULATOR COMPOUNDS ANTALGENICS S L (ES) 2021-12-15 EP disclosed
CN-102001958-A Method for synthesizing N-(3,4-dimethoxybenzyl)amide capsaicine homologous compounds UNIV ZHEJIANG 2011-04-06 CN disclosed
CN-101827632-A Process for preparing aromatic chewing foam for cosmetics BAYER MATERIALSCIENCE AG 2010-09-08 CN disclosed
EP-1215258-B1 Flavor composition for food and drink or for oral care preparation TAKASAGO PERFUMERY CO LTD (JP) 2010-02-17 EP disclosed
CN-1878745-A Use of alkene carboxylic acid N-alkylamides as odorants SYMRISE GMBH & CO KG (DE) 2006-12-13 CN disclosed
US-6673756-B2 MULTILAYER; CUTTING, JOINING UNDER PRESSURE SYMRISE GMBH & CO. KG (DE) 2004-01-06 US disclosed
US-20020173436-A1 Multilayer; cutting, joining under pressure SYMRISE GMBH & CO. KG (DE) 2002-11-21 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-11274073-B2 TRPV1 modulator compounds TRPV1, TRPA1, TRPV3 ALDH1A1 2059/4885ALOX5 550/4885TSHR 530/4885
US-20230139835-A1 ALLULOSE IN CRYSTALLINE FORM SI, SORD, NOTUM ALDH1A1 2204/4885ALOX5 2107/4885TSHR 4825/4885

“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.