SCHEMBL458085

SCHEMBL458085

O=C(O)c1ccc(N2C(=O)CCC2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 1.00
CA9 Q16790 8/20 1.00
CA1 P00915 6/20 1.00
DDAH1 O94760 1/20 0.62
ALDH1A1 P00352 2/20 0.59
CA2 P00918 3/20 0.56
SCN2A Q99250 1/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 2/20 0.56
HSD17B10 Q99714 1/20 0.55
GLA P06280 1/20 0.53
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL7829007 0.89 CA12 (0.80) CA12CA9CA1DDAH1ALDH1A1
SCHEMBL12261669 0.82 CA12 (0.70) CA12CA9CA1ALDH1A1CA2
SCHEMBL7287582 0.82 CA12 (0.68) CA12CA9CA1DDAH1ALDH1A1
SCHEMBL15741868 0.82 CA12 (0.68) CA12CA9CA1DDAH1ALDH1A1
SCHEMBL11478927 0.82 CA12 (0.67) CA12CA9CA1ALDH1A1CA2
SCHEMBL27893066 0.82 CA12 (0.69) CA12CA9CA1ALDH1A1CA2
SCHEMBL368155 0.82 CA12 (0.69) CA12CA9CA1ALDH1A1CA2
Hydrochloric Acid SCHEMBL7288973 0.81 CA12 (0.66) CA12CA9CA1DDAH1ALDH1A1
SCHEMBL8058716 0.80 CA12 (0.67) CA12CA9CA1ALDH1A1CA2
SCHEMBL11020613 0.79 CA12 (0.65) CA12CA9CA1DDAH1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102964598-A Polymaleimide polymer as well as preparation method and application of polymaleimide polymer CAS GUANGZHOU CHEMISTRY CO LTD 2013-03-13 CN claimed
US-20250326731-A1 CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS SCRIPPS RESEARCH INST (US) 2025-10-23 US disclosed
CN-116023951-A Liquid crystal aligning agent, liquid crystal alignment film, method for producing the same, liquid crystal element, and polymer JSR株式会社 2023-04-28 CN disclosed
CN-114479880-A Liquid crystal aligning agent, liquid crystal alignment film, method for producing liquid crystal alignment film, liquid crystal element, and method for producing liquid crystal element JSR株式会社 2022-05-13 CN disclosed
CN-114381281-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal element, method for producing liquid crystal element, and compound JSR株式会社 2022-04-22 CN disclosed
CN-108329336-B Metal complex of dicapryl [4] arene derivative and synthetic method and application thereof 中国科学院苏州生物医学工程技术研究所 2020-06-05 CN disclosed
WO-2020039695-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL ELEMENT MANUFACTURING METHOD JSR株式会社 2020-02-27 WO disclosed
CN-108586502-B Metal complex of dicapryl [4] arene derivative and synthetic method and application thereof 中国科学院苏州生物医学工程技术研究所 2019-12-27 CN disclosed
CN-108395372-B The metal complex and its synthetic method of double cup [4] arene derivatives and application 中国科学院苏州生物医学工程技术研究所 2019-09-10 CN disclosed
CN-108314690-B The metal complex and its synthetic method of double cup [4] arene derivatives and application 中国科学院苏州生物医学工程技术研究所 2019-06-07 CN disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8343928-B2 Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus SEATTLE GENETICS, INC. (US) 2013-01-01 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed
WO-2010025856-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2010-03-11 WO disclosed
US-20090111756-A1 Monomethylvaline Compounds Having Phenylalanine Carboxy Modifications at the C-Terminus SEATTLE GENECTICS, INC. (US) 2009-04-30 US disclosed
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 US disclosed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 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 (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-20090111756-A1 Monomethylvaline Compounds Having Phenylalanine Carboxy Modifications at the C-Terminus MMAB, PTMS, CAD CA12 1068/4885CA9 1847/4885CA1 1427/4885
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, HCRTR1 CA12 2976/4885CA9 3943/4885CA1 2804/4885
US-20250326731-A1 CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS DNPH1, NISCH, PTMA CA12 427/4885CA9 2349/4885CA1 550/4885
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus MMAB, DNPEP, MARCKS CA12 1527/4885CA9 2814/4885CA1 2340/4885

“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.