SCHEMBL2491158

SCHEMBL2491158

COc1cc(/C=C/C(=O)O)cc(OC)c1OC(C)=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.76
ALDH1A1 P00352 6/20 0.76
HPGD P15428 4/20 0.76
HSD17B10 Q99714 2/20 0.76
HTR1A P08908 2/20 0.76
HTR2C P28335 1/20 0.76
PKM P14618 2/20 0.66
PTGS1 P23219 1/20 0.66
PTGS2 P35354 1/20 0.66
TUBB4A P04350 2/20 0.64
TUBB P07437 2/20 0.64
TUBA3C P0DPH7 2/20 0.64
TUBA1B P68363 2/20 0.64
TUBA4A P68366 2/20 0.64
TUBB4B P68371 2/20 0.64
TUBB3 Q13509 2/20 0.64
TUBB2A Q13885 2/20 0.64
TUBB8 Q3ZCM7 2/20 0.64
TUBA3E Q6PEY2 2/20 0.64
TUBA1A Q71U36 2/20 0.64

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
SCHEMBL2491159 1.00 KDM4E (0.76) KDM4EALDH1A1HPGDHSD17B10HTR1A
Hydrochloric Acid SCHEMBL9043399 0.98 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL16692736 0.90 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL15884131 0.89 GAA (0.78) KDM4EALDH1A1HPGDHSD17B10HTR1A
Sinapic Acid Methyl Ether SCHEMBL207442 0.86 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10HTR1A
Sinapic Acid Methyl Ether SCHEMBL207441 0.86 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL7997553 0.86 TUBB4A (0.62) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL7997556 0.86 TUBB4A (0.62) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL15884125 0.86 TUBB4A (0.62) KDM4EALDH1A1HPGDHSD17B10HTR1A
Sinapic Acid Methyl Ether SCHEMBL9757598 0.85 KDM4E (0.96) KDM4EALDH1A1HPGDHSD17B10HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103694282-B A kind of method of synthesizing Tenuifoliside B ZHEJIANG UNIVERSITY (CN) 2015-12-09 CN claimed
CN-103694282-A Synthetic method of Tenuifoliside B UNIV ZHEJIANG 2014-04-02 CN claimed
EP-3592341-B1 TOPICAL COMPOSITIONS CONTAINING SYNTHETIC ESTERS OF SINAPINIC ACID AND METHODS FOR TREATING KERATIN SURFACES ELC MAN LLC (US) 2021-12-01 EP disclosed
US-20210137805-A1 TOPICAL COMPOSITIONS CONTAINING SYNTHETIC ESTERS OF SINAPINIC ACID AND METHODS FOR TREATING KERATIN SURFACES ELC MANAGEMENT LLC 2021-05-13 US disclosed
EP-2943478-B1 NOVEL DERIVATIVES OF SINAPINIC ACID PHARMASYNTHESE (FR) 2017-08-02 EP disclosed
EP-2917263-B1 POLY(DIHYDROFERULIC ACID) A BIORENEWABLE POLYETHYLENE TEREPHTHALATE MIMIC DERIVED FROM LIGNIN AND ACETIC ACID AND COPOLYMERS THEREOF UNIV FLORIDA (US) 2017-06-21 EP disclosed
US-9624340-B2 Poly(dihydroferulic acid) a biorenewable polyethylene terephthalate mimic derived from lignin and acetic acid and copolymers thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-04-18 US disclosed
US-9463338-B2 Derivatives of the sinapinic acid PHARMASYNTHESE (FR) 2016-10-11 US disclosed
US-9463338-B2 Derivatives of the sinapinic acid PHARMASYNTHESE (FR) 2016-10-11 US disclosed
US-20150353469-A1 DERIVATIVES OF THE SINAPINIC ACID PHARMASYNTHESE (FR) 2015-12-10 US disclosed
US-20150353469-A1 DERIVATIVES OF THE SINAPINIC ACID PHARMASYNTHESE (FR) 2015-12-10 US disclosed
US-5344845-A Methyl 4(4-acetoxy-3-methoxycinnamanide and salts as an immunosuppressive drug for allergic reactions TSUMURA & CO. (JP) 1994-09-06 US disclosed
EP-0505565-B1 QUINOLINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-04-27 EP disclosed
US-5278186-A Substituted with secondary amide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-01-11 US disclosed
US-5256782-A For anticholesterol agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-26 US disclosed
EP-0535250-A1 NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE TSUMURA & CO. (JP) 1993-04-07 EP disclosed
EP-0505565-A1 QUINOLINE DERIVATIVES, THEIR PRODUCTION AND USE. TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1992-09-30 EP disclosed
US-5143919-A Acyl-CoA:cholesterol acyltransferase inhibitors; anticholesterol agents; TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-09-01 US disclosed
EP-0472116-A1 Thienopyridine Derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-02-26 EP disclosed
WO-1991009017-A1 QUINOLINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-06-27 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 (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-20150353469-A1 DERIVATIVES OF THE SINAPINIC ACID ASAH1, ASAH2, ALDH7A1 KDM4E 4456/4885ALDH1A1 85/4885HPGD 912/4885
US-20210137805-A1 TOPICAL COMPOSITIONS CONTAINING SYNTHETIC ESTERS OF SINAPINIC ACID AND METHODS FOR TREATING KERATIN SURFACES KRT18, CUTA, CKAP4 KDM4E 1951/4885ALDH1A1 2869/4885HPGD 960/4885

“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.