SCHEMBL5166792

SCHEMBL5166792

CCOC(=O)C=CC(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
KDM4E B2RXH2 3/20 0.62
ABCG2 Q9UNQ0 5/20 0.60
LMNA P02545 4/20 0.58
NPC1 O15118 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 3/20 0.57
RAB9A P51151 2/20 0.57
TNFRSF1A P19438 2/20 0.56
ABCB1 P08183 1/20 0.56
FDPS P14324 1/20 0.54
MAPK1 P28482 2/20 0.53
USP2 O75604 1/20 0.53
ATM Q13315 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL5166787 1.00 MAPT (0.62) MAPTKDM4EABCG2LMNANPC1
SCHEMBL14601555 0.90 MAPT (0.51) MAPTKDM4EABCG2LMNANPC1
SCHEMBL14601550 0.85 NPSR1 (0.52) MAPTKDM4ELMNANPC1ALDH1A1
SCHEMBL5515523 0.84 ABCG2 (0.67) MAPTKDM4EABCG2LMNANPC1
SCHEMBL5515521 0.84 ABCG2 (0.67) MAPTKDM4EABCG2LMNANPC1
SCHEMBL9578915 0.80 MAPT (0.59) MAPTLMNANPC1MEN1KMT2A
SCHEMBL29098731 0.80 MAPT (0.59) MAPTLMNANPC1MEN1KMT2A
SCHEMBL14601554 0.80 MAPT (0.48) MAPTLMNANPC1MEN1KMT2A
SCHEMBL5585542 0.80 ABCG2 (0.69) MAPTKDM4EABCG2LMNANPC1
SCHEMBL5585560 0.80 ABCG2 (0.69) MAPTKDM4EABCG2LMNANPC1

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-108658765-B Preparation method of 4- (3, 4-dimethoxyphenyl) -4-oxo-2-ethyl crotonate 黄石市利福达医药化工有限公司 2021-03-16 CN claimed
US-4562068-A Sebosuppressive cosmetic preparations containing aryloxobutenoic acid derivatives HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1985-12-31 US claimed
EP-0101918-A1 Use of arylketobutenoic-acid derivatives, as component in cosmetic agents as well as arylketobutenoic-acid derivatives Henkel Kommanditgesellschaft auf Aktien (DE) 1984-03-07 EP claimed
CN-108658765-B Preparation method of 4- (3, 4-dimethoxyphenyl) -4-oxo-2-ethyl crotonate 黄石市利福达医药化工有限公司 2021-03-16 CN disclosed
CN-108658765-A A kind of 4-(3,4- Dimethoxyphenyls)The preparation method of -4- oxo -2- butenoic acid ethyls 黄石市利福达医药化工有限公司 2018-10-16 CN disclosed
US-7238812-B2 Tricyclic triazolobenzazepine derivatives, process for producing the same, and antiallergic agents MEJI SEIKA KAISHA, LTD. (JP) 2007-07-03 US disclosed
US-7238719-B2 Process for producing 1,2,3-Triazole compounds MEIJI SEIKA KAISHA, LTD. (JP) 2007-07-03 US disclosed
EP-1471058-B1 PROCESS FOR PRODUCING 1,2,3-TRIAZOLE COMPOUND MEIJI SEIKA KAISHA (JP) 2007-04-11 EP disclosed
US-20060074074-A1 Tricyclic triazolobenzazepine derivatives, process for producing the same, and antiallergic agents MEIJI SEIKA PHARMA CO., LTD. (JP) 2006-04-06 US disclosed
US-7022860-B2 Tricyclic triazolobenzazepine derivatives, process for producing the same, and antiallergic agents MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-04 US disclosed
US-20050080270-A1 Process for producing 1 2 3 triazole compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2005-04-14 US disclosed
EP-1471058-A1 PROCESS FOR PRODUCING 1,2,3-TRIAZOLE COMPOUND MEIJI SEIKA KAISHA LTD. (JP) 2004-10-27 EP disclosed
EP-1026167-B1 TRICYCLIC TRIAZOLOBENZAZEPINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND ANTIALLERGIC AGENTS MEIJI SEIKA KAISHA (JP) 2003-03-05 EP disclosed
US-20020137739-A1 Tricyclic triazolobenzazepine derivatives, process for producing the same, and antiallergic agents MEIJI SEIKA PHARMA CO., LTD. (JP) 2002-09-26 US disclosed
US-6372735-B1 ANTIHISTAMINES MEIJI SEIKA KAISHA, LTD. (JP) 2002-04-16 US disclosed
EP-1026167-A1 TRICYCLIC TRIAZOLOBENZAZEPINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND ANTIALLERGIC MEIJI SEIKA KAISHA LTD. (JP) 2000-08-09 EP disclosed
US-4562068-A Sebosuppressive cosmetic preparations containing aryloxobutenoic acid derivatives HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1985-12-31 US disclosed
EP-0101918-A1 Use of arylketobutenoic-acid derivatives, as component in cosmetic agents as well as arylketobutenoic-acid derivatives Henkel Kommanditgesellschaft auf Aktien (DE) 1984-03-07 EP 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 (3 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-20050080270-A1 Process for producing 1 2 3 triazole compound RPS27L, KARS1, STK38L MAPT 4274/4885KDM4E 2894/4885ABCG2 1442/4885
US-20060074074-A1 Tricyclic triazolobenzazepine derivatives, process for producing the same, and antiallergic agents HRH4, CYP2D6, CYP2B6 MAPT 3031/4885KDM4E 752/4885ABCG2 49/4885
US-20020137739-A1 Tricyclic triazolobenzazepine derivatives, process for producing the same, and antiallergic agents HRH4, CYP3A4, TPH1 MAPT 3223/4885KDM4E 547/4885ABCG2 38/4885

“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.