SCHEMBL391785

SCHEMBL391785

CCNC(NCC)(NCC)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.35
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4C Q9H3R0 1/20 0.32
KCNN4 O15554 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
LDHA P00338 1/20 0.30
SRR Q9GZT4 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1134031 0.74
SCHEMBL453463 0.74
SCHEMBL7086942 0.74 ALOX15 (0.32)
SCHEMBL17375347 0.72 ALDH1A1 (0.32) FFAR3TSHRALDH1A1KDM4CKCNN4
SCHEMBL10547847 0.72 ALDH1A1 (0.36) FFAR3TSHRALDH1A1KDM4CKCNN4
Hydrochloric Acid SCHEMBL22987133 0.72 KDM4C (0.43) FFAR3TSHRALDH1A1KDM4CKCNN4
SCHEMBL10799052 0.72
SCHEMBL22628822 0.71 TET2 (0.33) TSHRALDH1A1KDM4CCYP2D6CYP2C19
SCHEMBL22487745 0.70 FFAR3 (0.30) FFAR3
SCHEMBL28936457 0.70 ALDH1A1 (0.35) FFAR3TSHRALDH1A1MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346980-A1 TAIL-CONJUGATED RNAS TIBA BIOTECH (US) 2023-11-02 US disclosed
WO-2023212213-A1 TAIL-CONJUGATED RNAS TIBA BIOTECH (US) 2023-11-02 WO disclosed
US-8969551-B2 Morpholino nucleic acid derivatives NIPPON SHINYAKU CO., LTD. (JP) 2015-03-03 US disclosed
US-20130197220-A1 Morpholino Nucleic Acid Derivatives NIPPON SHINYAKU CO., LTD. (JP) 2013-08-01 US disclosed
US-8101655-B2 Fluorescent dyes and complexes SMITH GERALD ARTHUR (GB) 2012-01-24 US disclosed
US-20100256399-A1 FLUORESCENT DYES AND COMPLEXES CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-10-07 US disclosed
US-7674918-B2 Fluorescent dyes and complexes CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-03-09 US disclosed
US-20070238884-A1 Fluorescent Dyes and Complexes CAMBRIDGE ENTERPRISE LIMITED (GB) 2007-10-11 US disclosed
EP-1740947-A2 FLUORESCENT DYES AND COMPLEXES CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2007-01-10 EP disclosed
US-6994960-B1 Nucleic acid diagnostics based on mass spectrometry or mass separation and base specific cleavage THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2006-02-07 US disclosed
WO-2005098437-A2 FLUORESCENT DYES AND COMPLEXES CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LTD (GB) 2005-10-20 WO disclosed
EP-0985148-A4 NUCLEIC ACID DIAGNOSTICS BASED ON MASS SPECTROMETRY OR MASS SEPARATION AND BASE SPECIFIC CLEAVAGE INST MEDICAL W & E HALL (AU) 2004-03-10 EP disclosed
EP-0985148-A1 NUCLEIC ACID DIAGNOSTICS BASED ON MASS SPECTROMETRY OR MASS SEPARATION AND BASE SPECIFIC CLEAVAGE THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2000-03-15 EP disclosed
WO-1998054571-A1 NUCLEIC ACID DIAGNOSTICS BASED ON MASS SPECTROMETRY OR MASS SEPARATION AND BASE SPECIFIC CLEAVAGE THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 1998-12-03 WO disclosed
EP-0477791-B1 Polypeptide ISHIHARA SANGYO KAISHA (JP) 1996-08-07 EP disclosed
EP-0479071-B1 Polypeptide ISHIHARA SANGYO KAISHA (JP) 1996-07-03 EP disclosed
US-5519119-A TUMOR NECROSIS FACTOR POLYPEPTIDES AS ANTITUMOR AGENTS ISHIHARA SANGYO KAISHA LTD. (JP) 1996-05-21 US disclosed
US-5247070-A N-TERMINAL MUTEINS OF TUMOR NECROSIS FACTOR ISHIHARA SANGYO KAISHA LTD. (JP) 1993-09-21 US disclosed
EP-0479071-A2 Polypeptide ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-04-08 EP disclosed
EP-0477791-A2 Polypeptide ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-04-01 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-20070238884-A1 Fluorescent Dyes and Complexes F12, PYM1, ANXA6 FFAR3 857/4885TSHR 1099/4885ALDH1A1 1039/4885
US-20130197220-A1 Morpholino Nucleic Acid Derivatives MORF4L1, METTL16, METTL3 FFAR3 3537/4885TSHR 1047/4885ALDH1A1 2942/4885
US-20100256399-A1 FLUORESCENT DYES AND COMPLEXES F12, ANXA6, PYM1 FFAR3 1126/4885TSHR 1171/4885ALDH1A1 1468/4885

“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.