SCHEMBL859720

SCHEMBL859720

O=C(O)CCCCCNc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
MAPT P10636 3/20 0.59
HDAC1 Q13547 4/20 0.59
HDAC3 O15379 2/20 0.59
HDAC2 Q92769 2/20 0.59
NCOR2 Q9Y618 1/20 0.59
TBXA2R P21731 1/20 0.56
CDC25A P30304 1/20 0.55
CDC25B P30305 1/20 0.55
RXFP1 Q9HBX9 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
MAPK1 P28482 1/20 0.53
MEN1 O00255 2/20 0.50

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
SCHEMBL4624978 1.00 ALDH1A1 (0.59) ALDH1A1MAPTHDAC1HDAC3HDAC2
SCHEMBL19816482 1.00 ALDH1A1 (0.59) ALDH1A1MAPTHDAC1HDAC3HDAC2
SCHEMBL19816825 1.00 ALDH1A1 (0.59) ALDH1A1MAPTHDAC1HDAC3HDAC2
SCHEMBL8390655 1.00 ALDH1A1 (0.59) ALDH1A1MAPTHDAC1HDAC3HDAC2
SCHEMBL16691726 1.00 ALDH1A1 (0.59) ALDH1A1MAPTHDAC1HDAC3HDAC2
SCHEMBL15068944 1.00 ALDH1A1 (0.59) ALDH1A1MAPTHDAC1HDAC3HDAC2
Water SCHEMBL28193859 0.98 HDAC1 (0.57) ALDH1A1MAPTHDAC1HDAC3HDAC2
SCHEMBL6130488 0.98 MAPT (0.61) ALDH1A1MAPTHDAC1HDAC3HDAC2
SCHEMBL2177141 0.92 ALDH1A1 (0.64) ALDH1A1MAPTHDAC1HDAC3HDAC2
SCHEMBL27591545 0.90 ALDH1A1 (0.61) ALDH1A1MAPTHDAC1HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018100089-A1 MEANS AND METHODS FOR VISUALIZATION OF TISSUE STRUCTURES GRETZ NORBERT (DE) 2018-06-07 WO disclosed
EP-3077501-A1 MICROORGANISMS AND METHODS FOR IMPROVING PRODUCT YIELDS ON METHANOL USING ACETYL-COA SYNTHESIS Genomatica, Inc. (US) 2016-10-12 EP disclosed
WO-2015084633-A1 MICROORGANISMS AND METHODS FOR IMPROVING PRODUCT YIELDS ON METHANOL USING ACETYL-COA SYNTHESIS GENOMATICA, INC. (US) 2015-06-11 WO disclosed
EP-2129788-B1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS LLC (US) 2014-09-03 EP disclosed
WO-2014041424-A1 HISTONE DEACETYLASE INHIBITORS FOR ENHANCING ACTIVITY OF ANTIFUNGAL AGENTS METHYLGENE INC. (CA) 2014-03-20 WO disclosed
US-8642014-B2 Luminescent compounds SETA BIOMEDICALS, LLC (US) 2014-02-04 US disclosed
EP-2432893-A1 COMPOSITIONS, KITS AND METHODS FOR IN VITRO ANTIGEN PRESENTATION, ASSESSING VACCINE EFFICACY, AND ASSESSING IMMUNOTOXICITY OF BIOLOGICS AND DRUGS University Of Miami (US) 2012-03-28 EP disclosed
WO-2010135394-A1 COMPOSITIONS, KITS AND METHODS FOR IN VITRO ANTIGEN PRESENTATION, ASSESSING VACCINE EFFICACY, AND ASSESSING IMMUNOTOXICITY OF BIOLOGICS AND DRUGS UNIVERSITY OF MIAMI (US) 2010-11-25 WO disclosed
US-20100266507-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC 2010-10-21 US disclosed
EP-2129788-A2 LUMINESCENT COMPOUNDS Seta Biomedicals, LLC (US) 2009-12-09 EP disclosed
EP-1910524-A4 MODULATION OF SPHINGOSINE KINASE SIGNALLING MEDVET SCIENCE PTY LTD (AU) 2009-04-01 EP disclosed
WO-2008094637-A2 LUMINESCENT COMPOUNDS SETA BIOMEDICALS. LLC (US) 2008-08-07 WO disclosed
EP-1910524-A1 MODULATION OF SPHINGOSINE KINASE SIGNALLING MEDVET SCIENCE PTY. LTD. (AU) 2008-04-16 EP disclosed
EP-1781695-A1 SELECTIVE VPAC2 RECEPTOR PEPTIDE AGONISTS ELI LILLY AND COMPANY (US) 2007-05-09 EP disclosed
WO-2006135968-A1 MODULATION OF SPHINGOSINE KINASE SIGNALLING MEDVET SCIENCE PTY. LTD. (AU) 2006-12-28 WO disclosed
WO-2006023367-A1 SELECTIVE VPAC2 RECEPTOR PEPTIDE AGONISTS ELI LILLY AND COMPANY (US) 2006-03-02 WO disclosed
WO-2001055441-A2 NUCLEIC ACIDS, PROTEINS, AND ANTIBODIES HUMAN GENOME SCIENCES, INC. (US) 2001-08-02 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 (1 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-20100266507-A1 LUMINESCENT COMPOUNDS SQLE, COASY, ZKSCAN2 ALDH1A1 2552/4885MAPT 4099/4885HDAC1 3212/4885

“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.