SCHEMBL2123579

SCHEMBL2123579

O=[C]CCCc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 5/20 0.39
HSD17B10 Q99714 4/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 4/20 0.37
ERBB2 P04626 1/20 0.37
FYN P06241 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
AHR P35869 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
POLB P06746 2/20 0.36
GLA P06280 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
SCHEMBL10785650 0.94 KMT2A (0.59) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL1576754 0.94 KMT2A (0.59) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL10789790 0.94 KMT2A (0.59) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL15535800 0.87 KMT2A (0.48) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL29597648 0.84 KMT2A (0.71) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL700680 0.84 KMT2A (0.71) KMT2AMEN1ALDH1A1KDM4EHPGD
Pyrene SCHEMBL3424787 0.84 KMT2A (0.71) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL2121863 0.82 KMT2A (0.51) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL6412633 0.82 KMT2A (0.69) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL15536512 0.81 KMT2A (0.46) KMT2AMEN1ALDH1A1KDM4EHPGD

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 42 patents — showing the first 20. 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
CN-105636903-A Method for manufacturing ceramic-coated graphite WAPS CO LTD 2016-06-01 CN 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-6191273-B1 3,6,10,14-SUBSTITUTED-3,6,10,16-TETRAAZABICYCLO(10.3.1)-HEXADE CA-1(16),12,14-TRIENE COMPOUNDS OF GIVEN FORMULA; ANTIBACTERIAL AND OTHER UTILITIES, SUCH AS TO SCREEN FOR PESTICIDES OR DRUGS ISIS PHARMACEUTICALS, INC. 2001-02-20 US claimed
WO-1999011612-A2 SUBSTITUTED CYCLIC COMPOUNDS AND MIXTURES COMPRISING SAME ISIS PHARMACEUTICALS, INC. (US) 1999-03-11 WO claimed
EP-0178743-B1 NOVEL TRITIUM LABELLED N-MUSTARD TYPE COMPOUNDS AND A PROCESS FOR THEIR PRODUCTION UNIVERSITY OF PITTSBURGH (US) 1990-05-23 EP claimed
US-4795627-A AZIRIDINIUM ANALOG USED TO EVALUATE THE MECHANISM OF NEUROTRANSMITTER REGULATION UNIVERSITY OF PITTSBURGH (US) 1989-01-03 US claimed
EP-0178743-A2 Novel tritium labelled N-mustard type compounds and a process for their production UNIVERSITY OF PITTSBURGH (US) 1986-04-23 EP 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-11179471-B2 Peptide for cytosolic delivery KYOTO UNIVERSITY (JP) 2021-11-23 US disclosed
US-20210128745-A1 RAPID FORMATION OF SUPRAMOLECULAR HYDROGELS BY SHORT PEPTIDE AND BIOACTIVE SMALL MOLECULES BRANDEIS UNIVERSITY 2021-05-06 US disclosed
WO-2021020462-A1 INTRACELLULAR DELIVERY PEPTIDE 国立大学法人京都大学 2021-02-04 WO disclosed
EP-0088046-B1 LIPIDS IN THE AQUEOUS PHASE CIBA-GEIGY AG (CH) 1987-12-09 EP disclosed
US-4619794-A Spontaneous preparation of small unilamellar liposomes CIBA-GEIGY CORPORATION (US) 1986-10-28 US disclosed
EP-0178743-A2 Novel tritium labelled N-mustard type compounds and a process for their production UNIVERSITY OF PITTSBURGH (US) 1986-04-23 EP disclosed
EP-0088046-A2 Lipids in the aqueous phase CIBA-GEIGY AG (CH) 1983-09-07 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 (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 KMT2A 4080/4885MEN1 3361/4885ALDH1A1 2882/4885

“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.