SCHEMBL3683227

SCHEMBL3683227

CC(=O)CCC(=O)Oc1cc(C=Cc2ccc(OC(C)=O)cc2)cc(OC(C)=O)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.75
▸ MAPT P10636 3/20 0.75
▸ LMNA P02545 2/20 0.75
▸ TTR P02766 2/20 0.75
▸ KDM4E B2RXH2 1/20 0.75
▸ MEN1 O00255 1/20 0.75
▸ TP53 P04637 1/20 0.75
▸ CYP3A4 P08684 1/20 0.75
▸ SMN1; SMN2 Q16637 1/20 0.75
▸ CYP19A1 P11511 2/20 0.61
▸ TUBB4A P04350 3/20 0.53
▸ TUBB P07437 3/20 0.53
▸ TUBA3C P0DPH7 3/20 0.53
▸ TUBA1B P68363 3/20 0.53
▸ TUBA4A P68366 3/20 0.53
▸ TUBB4B P68371 3/20 0.53
▸ TUBB3 Q13509 3/20 0.53
▸ TUBB2A Q13885 3/20 0.53
▸ TUBB8 Q3ZCM7 3/20 0.53
▸ TUBA3E Q6PEY2 3/20 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
SCHEMBL3687875 1.00 KMT2A (0.75) KMT2AMAPTLMNATTRKDM4E
SCHEMBL28462778 0.96 KMT2A (0.82) KMT2AMAPTLMNATTRKDM4E
SCHEMBL28467188 0.90 KMT2A (0.73) KMT2AMAPTLMNATTRKDM4E
SCHEMBL28467186 0.90 KMT2A (0.73) KMT2AMAPTLMNATTRKDM4E
SCHEMBL28462780 0.90 KMT2A (0.73) KMT2AMAPTLMNATTRKDM4E
Triacetylresveratrol SCHEMBL717979 0.87 TTR (1.00) KMT2AMAPTLMNATTRKDM4E
Triacetylresveratrol SCHEMBL717980 0.87 TTR (1.00) KMT2AMAPTLMNATTRKDM4E
SCHEMBL12061383 0.86 LMNA (0.53) KMT2AMAPTLMNATTRKDM4E
SCHEMBL20786804 0.86 TTR (0.79) KMT2AMAPTLMNATTRKDM4E
SCHEMBL3483739 0.84 TTR (0.77) KMT2AMAPTLMNATTRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753708-B1 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME UNIV BRIGHAM YOUNG (US) 2018-02-21 — — EP disclosed
US-8841477-B2 Sirtuin activating compounds and processes for making the same BRIGHAM YOUNG UNIVERSITY (US) 2014-09-23 — — US disclosed
US-20100185006-A1 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND PROCESSES FOR MAKING THE SAME BRIGHAM YOUNG UNIVERSITY (US) 2010-07-22 — — US disclosed
US-7714161-B2 N-heterocyclic carbon-type ligand coupling in the presence of a base with benzyol halide and styrene coupling partners; resveratrol; increased stability for use in the food, cosmetic and pharmaceutical industries BRIGHAM YOUNG UNIVERSITY (US) 2010-05-11 — — US disclosed
US-20080255382-A1 N-heterocyclic carbon-type ligand coupling in the presence of a base with benzyol halide and styrene coupling partners; resveratrol; increased stability for use in the food, cosmetic and pharmaceutical industries BRIGHAM YOUNG UNIVERSITY 2008-10-16 — — US disclosed
EP-1753708-A4 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME UNIV BRIGHAM YOUNG (US) 2007-12-26 — — EP disclosed
EP-1753708-A2 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME Brigham Young University (US) 2007-02-21 — — EP disclosed
WO-2005069998-A2 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND METHODS FOR MAKING THE SAME BRIGHAM YOUNG UNIVERSITY TECHNOLOGY TRANSFER OFFICE (US) 2005-08-04 — — 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-20100185006-A1 NOVEL SIRTUIN ACTIVATING COMPOUNDS AND PROCESSES FOR MAKING THE SAME SIRT1, SIRT2, SIRT3 KMT2A 542/4885MAPT 4298/4885LMNA 1305/4885
US-20080255382-A1 N-heterocyclic carbon-type ligand coupling in the presence of a base with benzyol halide and styrene coupling partners; resveratrol; increased stability for use in the food, cosmetic and pharmaceutical industries RB1, SBK1, NADK KMT2A 2488/4885MAPT 4496/4885LMNA 1421/4885

“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.

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