SCHEMBL6690987

SCHEMBL6690987

CCC([C]=O)c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HPGD P15428 5/20 0.42
HSD17B10 Q99714 4/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 4/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 4/20 0.36
ERBB2 P04626 1/20 0.36
FYN P06241 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
AHR P35869 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL8015935 0.79 HPRT1 (0.44) ALDH1A1HPGDHSD17B10TSHRTDP1
SCHEMBL143126 0.78 CYP2C9 (0.46) ALDH1A1HPGDTSHRCYP1A2KMT2A
SCHEMBL3053893 0.78 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL1804899 0.75 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL1782942 0.75 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10CYP3A4TSHR
Hydrochloric Acid SCHEMBL1714903 0.73 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10CYP3A4TSHR
Water SCHEMBL28464913 0.73 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL10905515 0.73 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL38870 0.73 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10CYP3A4TSHR
SCHEMBL29439072 0.73 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839661-B2 Rapid formation of supramolecular hydrogels by short peptide and bioactive small molecules BRANDEIS UNIVERSITY (US) 2023-12-12 US claimed
US-20210128745-A1 RAPID FORMATION OF SUPRAMOLECULAR HYDROGELS BY SHORT PEPTIDE AND BIOACTIVE SMALL MOLECULES BRANDEIS UNIVERSITY 2021-05-06 US claimed
WO-2019035928-A1 RAPID FORMATION OF SUPRAMOLECULAR HYDROGELS BY SHORT PEPTIDE AND BIOACTIVE SMALL MOLECULES BRANDEIS UNIVERSITY (US) 2019-02-21 WO claimed
WO-2018129171-A1 ENZYMATICALLY ACTIVATABLE PEPTIDE-REDOX MODULATOR CONJUGATES AND USE THEREOF BRANDEIS UNIVERSITY (US) 2018-07-12 WO claimed
US-20170037082-A1 SYNTHETIC PEPTIDES, ENZYMATIC FORMATION OF PERICELLULAR HYDROGELS/NANOFIBRILS, AND METHODS OF USE BRANDEIS UNIVERSITY 2017-02-09 US claimed
WO-2015157535-A2 SYNTHETIC PEPTIDES, ENZYMATIC FORMATION OF PERICELLULAR HYDROGELS/NANOFIBRILS, AND METHODS OF USE BRANDEIS UNIVERSITY (US) 2015-10-15 WO claimed
US-11839661-B2 Rapid formation of supramolecular hydrogels by short peptide and bioactive small molecules BRANDEIS UNIVERSITY (US) 2023-12-12 US disclosed
US-20210128745-A1 RAPID FORMATION OF SUPRAMOLECULAR HYDROGELS BY SHORT PEPTIDE AND BIOACTIVE SMALL MOLECULES BRANDEIS UNIVERSITY 2021-05-06 US disclosed
EP-3790890-A1 CYCLIC CELL-PENETRATING PEPTIDES WITH ONE OR MORE HYDROPHOBIC RESIDUES Ohio State Innovation Foundation (US) 2021-03-17 EP disclosed
WO-2019217682-A1 CYCLIC CELL-PENETRATING PEPTIDES WITH ONE OR MORE HYDROPHOBIC RESIDUES OHIO STATE INNOVATION FOUNDATION (US) 2019-11-14 WO disclosed
WO-2019035928-A1 RAPID FORMATION OF SUPRAMOLECULAR HYDROGELS BY SHORT PEPTIDE AND BIOACTIVE SMALL MOLECULES BRANDEIS UNIVERSITY (US) 2019-02-21 WO disclosed
WO-2004106356-A1 FUNCTIONALIZED NUCLEOTIDE DERIVATIVES SYDDANSK UNIVERSITET (DK) 2004-12-09 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-20170037082-A1 SYNTHETIC PEPTIDES, ENZYMATIC FORMATION OF PERICELLULAR HYDROGELS/NANOFIBRILS, AND METHODS OF USE DNPEP, ENPEP, ANPEP ALDH1A1 2882/4885HPGD 3290/4885HSD17B10 3899/4885

“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.