SCHEMBL682960

SCHEMBL682960

CCN1Cc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CARM1 Q86X55 1/20 0.46
CHRNA7 P36544 1/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
HSD17B3 P37058 1/20 0.43
NOTUM Q6P988 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
BACE1 P56817 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL32082017 1.00 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2D6CYP2C19NPC1
SCHEMBL153999 0.84 MAOA (0.57) ALDH1A1KDM4ECARM1MAOAMAOB
SCHEMBL31841937 0.84 MAOA (0.57) ALDH1A1KDM4ECARM1MAOAMAOB
SCHEMBL2632719 0.80 ALDH1A1 (0.68) ALDH1A1CYP1A2CYP2D6CYP2C19NPC1
SCHEMBL8391771 0.80 CYP3A4 (0.41) ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL7884784 0.78 CHRNA7 (0.50) ALDH1A1CYP1A2CYP2D6CYP2C19CHRNA7
SCHEMBL30072993 0.78 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL23848981 0.77 PRMT5 (0.42) ALDH1A1CYP1A2CYP2D6CYP2C19NPC1
SCHEMBL38660913 0.77 ALDH1A1 (0.81) ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL14670200 0.77 ALDH1A1 (0.81) ALDH1A1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4186896-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2023-05-31 EP disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
US-20220402926-A1 NOVEL MACROCYCLIC SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-12-22 US disclosed
CN-115353667-A Method and material for reducing waste 李蓁蓁 2022-11-18 CN disclosed
US-11384090-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-07-12 US disclosed
US-11352363-B1 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-06-07 US disclosed
US-11339170-B1 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor Nanjing Immunophage Biotech Co., Ltd. (CN) 2022-05-12 US disclosed
EP-3985000-A1 2,4-DISUBSTITUTED PYRIMIDINE DERIVATIVE, PREPARATION METHOD FOR SAME, AND USES THEREOF Chengdu Zenitar Biomedical Technology Co., Ltd. (CN) 2022-04-20 EP disclosed
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 US disclosed
US-7279468-B2 Integrin ligands ABBOTT GMBH & CO. KG (DE) 2007-10-09 US disclosed
US-20070232668-A1 Orally Bioavailable Caffeic Acid Related Anticancer Drugs THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2007-10-04 US disclosed
US-7244847-B2 Benzimidazole compounds ISIS PHARMACEUTICALS, INC. (US) 2007-07-17 US disclosed
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-04-05 US disclosed
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels IONIX PHARMACEUTICALS LIMITED (GB) 2007-02-22 US disclosed
WO-2007016538-A2 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2007-02-08 WO disclosed
US-4954590-A SUBJECTING ISOINDOLINE ISOINDOLE COMPOUND TO OXIDATIVE POLYMERIZATION; ELECTROCONDUCTIVE POLYMER SHOWA DENKO KABUSHIKI KAISHA (JP) 1990-09-04 US disclosed
US-4833231-A Polymer having isoindole structure SHOWA DENKO KABUSHIKI KAISHA (JP) 1989-05-23 US disclosed
EP-0248915-A1 POLYMERS HAVING ISOINDOLE STRUCTURE AND PROCESS FOR THEIR PREPARATION SHOWA DENKO KABUSHIKI KAISHA (JP) 1987-12-16 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 (11 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-20070232668-A1 Orally Bioavailable Caffeic Acid Related Anticancer Drugs STAT3, JAK2, STAT5A ALDH1A1 970/4885CYP1A2 1213/4885CYP2D6 771/4885
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 ALDH1A1 399/4885CYP1A2 2939/4885CYP2D6 4541/4885
US-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor MIF, MMP12, SLC11A2 ALDH1A1 2121/4885CYP1A2 2497/4885CYP2D6 1675/4885
US-20070293499-A1 Intracellular Kinase Inhibitors PI4KB, BTK, LTK ALDH1A1 4370/4885CYP1A2 4877/4885CYP2D6 4867/4885
US-20220402926-A1 NOVEL MACROCYCLIC SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 ALDH1A1 922/4885CYP1A2 2864/4885CYP2D6 898/4885
US-11384090-B2 Spiropyrrolidine derived antiviral agents ACE, ACE2, REN ALDH1A1 307/4885CYP1A2 1010/4885CYP2D6 338/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 ALDH1A1 399/4885CYP1A2 2939/4885CYP2D6 4541/4885
US-11339170-B1 Spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 ALDH1A1 319/4885CYP1A2 1377/4885CYP2D6 344/4885
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels SCN1B, SCN1A, SCN10A ALDH1A1 489/4885CYP1A2 3293/4885CYP2D6 2930/4885
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CD44, CSGALNACT1 ALDH1A1 2097/4885CYP1A2 4547/4885CYP2D6 3066/4885
US-11352363-B1 Spiropyrrolidine derived antiviral agents ACE, ACE2, REN ALDH1A1 218/4885CYP1A2 1307/4885CYP2D6 433/4885

“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.