SCHEMBL377256

SCHEMBL377256

[C-]#[N+]c1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CA9 Q16790 3/20 0.58
CA7 P43166 2/20 0.58
CA12 O43570 1/20 0.58
CA14 Q9ULX7 1/20 0.58
ACHE P22303 1/20 0.48
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 2/20 0.46
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL8980208 0.97 CA1 (0.55) CA1CA2CA9CA7CA12
SCHEMBL3139320 0.97 CA1 (0.55) CA1CA2CA9CA7CA12
SCHEMBL12619982 0.84 CA1 (0.41) CA1CA2CA9CA7CA12
SCHEMBL12786310 0.84 RXFP1 (0.59) CA1CA2MAPK1ALDH1A1LMNA
SCHEMBL13338785 0.81 SLC2A1 (0.43) CA1CA2CA9CA7CA12
SCHEMBL11604292 0.78 ALDH1A1 (0.41) CA1CA2CA9TDP1CYP3A4
SCHEMBL409015 0.76 HDAC3 (0.32)
1,4-Dimethoxybenzene SCHEMBL21802643 0.76 CA1 (1.00) CA1CA2CA9CA7CA12
1,4-Dimethoxybenzene SCHEMBL8489 0.76 CA1 (1.00) CA1CA2CA9CA7CA12
SCHEMBL16202955 0.76 CA1 (0.61) CA1CA2CA9CA7CA12

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 150 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114014838-B Compound and preparation method and application thereof 山东师范大学 2024-03-19 CN claimed
CN-113956232-B Quinoline-bisindole compound and preparation method and application thereof 山东师范大学 2022-09-16 CN claimed
CN-114014838-A Compound and preparation method and application thereof 山东师范大学 2022-02-08 CN claimed
CN-113956232-A Quinoline-bisindole compound and preparation method and application thereof 山东师范大学 2022-01-21 CN claimed
CN-112778324-A Polysubstituted difuran cycloheptatrienamine derivative and preparation method thereof 山东师范大学 2021-05-11 CN claimed
CN-107778210-B Synthetic method of 3-selenoindole compound 苏州大学 2020-04-10 CN claimed
US-20170320908-A1 SOLID PHASE SYNTHESIS OF CYCLIC AMINO ACID MOLECULES ENCYCLE THERAPEUTICS INC. (CA) 2017-11-09 US claimed
EP-3221335-A1 SOLID PHASE SYNTHESIS OF CYCLIC AMINO ACID MOLECULES Encycle Therapeutics (CA) 2017-09-27 EP claimed
WO-2016079682-A1 SOLID PHASE SYNTHESIS OF CYCLIC AMINO ACID MOLECULES ENCYCLE THERAPEUTICS (CA) 2016-05-26 WO claimed
US-9260479-B2 Cyclic amino acid molecules and methods of preparing the same THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-02-16 US claimed
US-20120065366-A1 CYCLIC AMINO ACID MOLECULES AND METHODS OF PREPARING THE SAME THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-03-15 US claimed
EP-2408802-A1 CYCLIC AMINO ACID MOLECULES AND METHODS OF PREPARING THE SAME The Governing Council of the University of Toronto (CA) 2012-01-25 EP claimed
WO-2010105363-A1 CYCLIC AMINO ACID MOLECULES AND METHODS OF PREPARING THE SAME YUDIN ANDREI (CA) 2010-09-23 WO claimed
US-20040063947-A1 Novel intermediates in the synthesis of camptothecin and related compounds and synthesis thereof UNIVERSITY OF PITTSBURGH 2004-04-01 US claimed
US-6713146-B2 SINGLY RECORDABLE COMPACT DISC (CD-R) BAYER AKTIENGESELLSCHAFT (DE) 2004-03-30 US claimed
EP-1322906-A1 OPTICAL DATA STORAGE DEVICE CONTAINING A CO-PHTHALOCYANIN COMPLEX IN THE OPTICALLY WRITABLE INFORMATION LAYER Bayer Aktiengesellschaft (DE) 2003-07-02 EP claimed
US-20020127366-A1 Optical data stores containing a Co-phthalocyanine complex in the information layer recordable using light LANXESS DEUTSCHLAND GMBH (DE) 2002-09-12 US claimed
WO-2002025205-A1 OPTICAL DATA STORAGE DEVICE CONTAINING A CO-PHTHALOCYANIN COMPLEX IN THE OPTICALLY WRITABLE INFORMATION LAYER BAYER AKTIENGESELLSCHAFT (DE) 2002-03-28 WO claimed
US-20010029298-A1 Novel intermediates in the synthesis of camptothecin and related compounds and synthesis thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-10-11 US claimed
US-6211371-B1 REACTING AN ARYL ISONIRILE WITH AN ISOQUINOLIN-1-ONE COMPOUND UNIVERSITY OF PITTSBURGH 2001-04-03 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20120065366-A1 CYCLIC AMINO ACID MOLECULES AND METHODS OF PREPARING THE SAME DNPEP, ANPEP, BCAT1 CA1 34/4885CA2 236/4885CA9 185/4885
US-20040063947-A1 Novel intermediates in the synthesis of camptothecin and related compounds and synthesis thereof CGAS, APEX1, DHPS CA1 2765/4885CA2 3769/4885CA9 1763/4885
US-20010029298-A1 Novel intermediates in the synthesis of camptothecin and related compounds and synthesis thereof CGAS, APEX1, DHPS CA1 2765/4885CA2 3769/4885CA9 1763/4885
US-20170320908-A1 SOLID PHASE SYNTHESIS OF CYCLIC AMINO ACID MOLECULES MAX, BCAT1, ASNS CA1 746/4885CA2 1830/4885CA9 1793/4885

“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.