SCHEMBL7353241

SCHEMBL7353241

O=C(O)C1CCCCCCC1=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.58
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.46
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.36
CA6 P23280 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP1A2 P05177 1/20 0.36
RECQL P46063 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
SCHEMBL8081259 1.00 MCL1 (0.58) MCL1KMT2AMAPK1CA1CA2
SCHEMBL3553694 0.98 MCL1 (0.60) MCL1KMT2AMAPK1CA1CA2
SCHEMBL612494 0.98 MCL1 (0.60) MCL1KMT2AMAPK1CA1CA2
SCHEMBL17178416 0.95 MCL1 (0.58) MCL1KMT2AMAPK1CA1CA2
SCHEMBL28677273 0.95 MCL1 (0.58) MCL1KMT2AMAPK1CA1CA2
Ethane SCHEMBL4053553 0.93 MCL1 (0.56) MCL1KMT2AMAPK1CA1CA2
SCHEMBL932332 0.91
SCHEMBL22468834 0.91
SCHEMBL11665728 0.89 MCL1 (0.53) MCL1KMT2AMAPK1CA1CA2
Ethane SCHEMBL4051846 0.86 MCL1 (0.48) MCL1KMT2AMAPK1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400784-A1 Method for Screening Solvent for Extracting Polyvinyl Chloride, Method for Recycling Waste, Recycled Polyvinyl Chloride, and Composition LG CHEM, LTD. (KR) 2024-12-05 US disclosed
US-20240400792-A1 CURABLE (METH)ACRYLATE COMPOSITIONS HENKEL AG & CO KGAA (DE) 2024-12-05 US disclosed
US-10435645-B2 Organoleptic compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2019-10-08 US disclosed
CN-108203382-A Novel sensory compounds 国际香料和香精公司 2018-06-26 CN disclosed
US-20180171263-A1 NOVEL ORGANOLEPTIC COMPOUNDS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2018-06-21 US disclosed
US-20100035892-A1 METHOD FOR ASSEMBLING HIGH-PURITY CHEMICAL LIBRARIES, COMPOUNDS SUPPRESSING ACETYL COENZYME A CARBOXYLASE ACTIVITIES DISCOVERED BY SAME THE UNIVERSITY OF CHICAGO 2010-02-11 US disclosed
EP-0682663-B1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS UPJOHN CO (US) 2001-04-18 EP disclosed
US-5686486-A 4-hydroxy-benzopyran-2-ones and 4-hydroxy-cycloalkyl b!pyran-2-ones useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US disclosed
CN-1117291-A 4-Hydroxy-pyran-2-one derivatives for the treatment of retroviral infections UPJOHN CO (US) 1996-02-21 CN disclosed
EP-0682663-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-22 EP disclosed
WO-1994018188-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL[B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS THE UPJOHN COMPANY (US) 1994-08-18 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 (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-20100035892-A1 METHOD FOR ASSEMBLING HIGH-PURITY CHEMICAL LIBRARIES, COMPOUNDS SUPPRESSING ACETYL COENZYME A CARBOXYLASE ACTIVITIES DISCOVERED BY SAME ACACA, COASY, ACACB MCL1 4087/4885KMT2A 2124/4885MAPK1 3995/4885
US-20180171263-A1 NOVEL ORGANOLEPTIC COMPOUNDS TRPA1, TRPV1, TRPV5 MCL1 3609/4885KMT2A 2395/4885MAPK1 4854/4885
US-10435645-B2 Organoleptic compounds TRPA1, TRPV1, TRPV5 MCL1 3855/4885KMT2A 2594/4885MAPK1 4866/4885

“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.