SCHEMBL73472

SCHEMBL73472

COc1ccc(CC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.54
ESR1 P03372 1/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
AGXT P21549 2/20 0.50
LTA4H P09960 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 2/20 0.48
ALOX15 P16050 2/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL13153085 0.94 MAOB (0.55) IDO1ESR1CA12CA1CA2
SCHEMBL19303112 0.94 LTA4H (0.61) IDO1ESR1CA12CA1CA2
SCHEMBL22386734 0.94 LTA4H (0.50) IDO1ESR1CA12CA1CA2
SCHEMBL19788229 0.84 LTA4H (0.46) IDO1ESR1LTA4HALDH1A1TP53
SCHEMBL16424752 0.83 IDO1 (0.56) IDO1CA12CA1CA2CA7
SCHEMBL3480017 0.83 ESR1 (0.56) ESR1LTA4HALDH1A1CYP3A4TSHR
SCHEMBL24940008 0.82 MMP1 (0.43) IDO1ESR1AGXTLTA4HTAAR1
SCHEMBL11132376 0.82 IDO1 (0.50) IDO1CA12CA1CA2CA7
SCHEMBL8852063 0.82 IDO1 (0.50) IDO1CA12CA1CA2CA7
SCHEMBL23893975 0.82 IDO1 (0.56) IDO1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 US disclosed
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 US disclosed
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2024-07-02 US disclosed
US-12024528-B2 Bridged tricyclic carbamoylpyridone compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-02 US disclosed
US-20240209363-A1 OLIGONUCLEOTIDES FOR TREATING EXPANDED REPEAT DISEASES JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2024-06-27 US disclosed
US-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 US disclosed
US-11873317-B2 Galectin-3 inhibiting c-glycosides GLYCOMIMETICS, INC. (US) 2024-01-16 US disclosed
US-11873317-B2 Galectin-3 inhibiting c-glycosides GLYCOMIMETICS, INC. (US) 2024-01-16 US disclosed
US-11858924-B2 N-(2-(4-cyanothiazolidin-3-yl)-2-oxoethyl)-quinoline-4-carboxamides ASTRAZENECA (SE) 2024-01-02 US disclosed
US-11858924-B2 N-(2-(4-cyanothiazolidin-3-yl)-2-oxoethyl)-quinoline-4-carboxamides ASTRAZENECA (SE) 2024-01-02 US disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed
WO-2007071961-A1 BENZAMIDE DERIVATIVES ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
US-7226661-B2 Synthesis of quinones and phenols on solid support BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-06-05 US disclosed
US-20070093544-A1 1-((4-Tert-butylcyclohexyl)(1-methyl-5-propoxy-1H-benzimidazol-2-yl-amino-)-N-1H-tetrazole-5-yl-indane-5-carboxamide; glucagon receptor antagonists; antidiabetic agents; type 2 diabetes mellitus; insulin resistance; gluconeogenesis inhibitors; lowering rate of hepatic glucose output; hypoglycemic agents MERCK SHARP & DOHME LLC 2007-04-26 US disclosed
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. 2007-01-25 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US disclosed
WO-2004043367-A2 FUSED HETEROCYCLIC COMPOUNDS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
WO-2003020278-A1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES NOVARTIS AG (CH) 2003-03-13 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 (10 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-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof DDT, CYP3A5, CYP4B1 IDO1 1193/4885ESR1 4247/4885CA12 4691/4885
US-20070093544-A1 1-((4-Tert-butylcyclohexyl)(1-methyl-5-propoxy-1H-benzimidazol-2-yl-amino-)-N-1H-tetrazole-5-yl-indane-5-carboxamide; glucagon receptor antagonists; antidiabetic agents; type 2 diabetes mellitus; insulin resistance; gluconeogenesis inhibitors; lowering rate of hepatic glucose output; hypoglycemic agents GPR119, GLP1R, INSR IDO1 1621/4885ESR1 2162/4885CA12 4720/4885
US-20240209363-A1 OLIGONUCLEOTIDES FOR TREATING EXPANDED REPEAT DISEASES HTT, UPF1, TARDBP IDO1 4816/4885ESR1 4046/4885CA12 4649/4885
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof VIP, PTMS, IAPP IDO1 2643/4885ESR1 4263/4885CA12 2860/4885
US-11873317-B2 Galectin-3 inhibiting c-glycosides LGALS3, LGALS3BP, LGALS1 IDO1 1973/4885ESR1 4482/4885CA12 289/4885
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor GHSR, GHRHR, GIPR IDO1 3963/4885ESR1 534/4885CA12 4698/4885
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 IDO1 1753/4885ESR1 1251/4885CA12 2890/4885
US-12024528-B2 Bridged tricyclic carbamoylpyridone compounds and uses thereof SDHA, SDHB, DPYD IDO1 1734/4885ESR1 4405/4885CA12 919/4885
US-20070021428-A1 Immunomodulating heterocyclic compounds CD40, CD40LG, NGFR IDO1 208/4885ESR1 759/4885CA12 1512/4885
US-11858924-B2 N-(2-(4-cyanothiazolidin-3-yl)-2-oxoethyl)-quinoline-4-carboxamides FAP, PREP, CTRL IDO1 1693/4885ESR1 3543/4885CA12 1021/4885

“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.