SCHEMBL871366

SCHEMBL871366

CC1(C)OB(c2ccc(OCCN3CCCC3)cc2)OC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.54
KDM4E B2RXH2 2/20 0.54
PSMB1 P20618 6/20 0.52
PSMB5 P28074 6/20 0.52
PSMB2 P49721 4/20 0.52
HRH3 Q9Y5N1 2/20 0.51
PTGS2 P35354 3/20 0.50
PTGS1 P23219 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL585479 0.99 PSMB1 (0.55) LTA4HKDM4EPSMB1PSMB5PSMB2
SCHEMBL18824777 0.93 HRH3 (0.56) HRH3
SCHEMBL237631 0.92 HRH3 (0.58) HRH3
SCHEMBL18844624 0.90 HRH3 (0.52) HRH3ALDH1A1
SCHEMBL1367081 0.90 LTA4H (0.52) LTA4HKDM4EHRH3ALDH1A1
SCHEMBL171775 0.89 ALDH1A1 (0.55) LTA4HKDM4EPSMB1PSMB5HRH3
SCHEMBL29602879 0.89 PSMB1 (0.43) LTA4HKDM4EPSMB1PSMB5PSMB2
SCHEMBL25301027 0.88 LTA4H (0.41) LTA4HKDM4EPSMB1PSMB5PSMB2
SCHEMBL12435690 0.87 LTA4H (0.41) LTA4HKDM4EPSMB1PSMB5PSMB2
SCHEMBL22137694 0.87 HRH3 (0.50) LTA4HKDM4EPSMB1PSMB5PSMB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4499616-A1 SPIROBICYCLIC COMPOUNDS Acerand Therapeutics (Hong Kong) Limited (HK) 2025-02-05 EP disclosed
US-20240148722-A1 SMALL MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF ALS AND RELATED DISORDERS FOX CHASE CHEMICAL DIVERSITY CENTER INC. 2024-05-09 US disclosed
WO-2024091370-A1 5,6-FUSED BICYCLIC HETEROAROMATIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2024-05-02 WO disclosed
EP-4294811-A2 SMALL MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF ALS AND RELATED DISORDERS Biohaven Therapeutics Ltd. (US) 2023-12-27 EP disclosed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 WO disclosed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 WO disclosed
EP-3152210-B1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2023-07-05 EP disclosed
WO-2022178338-A2 SMALL MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF ALS AND RELATED DISORDERS BIOHAVEN THERAPEUTICS LTD. (US) 2022-08-25 WO disclosed
US-20210171554-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS TO TREAT MEDICAL DISORDERS G1 THERAPEUTICS, INC. (US) 2021-06-10 US disclosed
US-10259811-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-16 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
WO-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
EP-1768986-A2 FURANOPYRIMIDINES Amgen Inc. (US) 2007-04-04 EP disclosed
US-20060074244-A1 Pyridinyl substituted (1,2,3,)triazoles as inhibitors of the tgf-beta signalling pathway GELLIBERT FRANCOISE J 2006-04-06 US disclosed
US-20060058329-A1 Pyrazole inhibitors of the transforming growth factor SMITHKLINE BEECHAM CORPORATION 2006-03-16 US disclosed
US-20060040961-A1 Furanopyrimidines AMGEN INC. 2006-02-23 US disclosed
WO-2006004658-A2 FURANOPYRIMIDINES AMGEN INC. (US) 2006-01-12 WO disclosed
US-20060004051-A1 Compounds DODIC NERINA 2006-01-05 US disclosed
US-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors DODIC NERINA 2005-11-03 US 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 (9 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-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors SMAD2, SMAD3, ALK LTA4H 3056/4885KDM4E 514/4885PSMB1 3152/4885
US-20240148722-A1 SMALL MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF ALS AND RELATED DISORDERS TARDBP, FUS, HSPE1 LTA4H 3472/4885KDM4E 2340/4885PSMB1 740/4885
US-20060058329-A1 Pyrazole inhibitors of the transforming growth factor SMAD3, SMAD2, TGFBR1 LTA4H 2753/4885KDM4E 1983/4885PSMB1 2895/4885
US-10259811-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS LTA4H 3932/4885KDM4E 1474/4885PSMB1 1421/4885
US-20060040961-A1 Furanopyrimidines TYMS, IDO1, NFATC1 LTA4H 592/4885KDM4E 3284/4885PSMB1 829/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B LTA4H 152/4885KDM4E 1494/4885PSMB1 2677/4885
US-20210171554-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS TO TREAT MEDICAL DISORDERS CDK6, ESR1, CDK4 LTA4H 2094/4885KDM4E 543/4885PSMB1 1043/4885
US-20060074244-A1 Pyridinyl substituted (1,2,3,)triazoles as inhibitors of the tgf-beta signalling pathway SMAD3, TGFBR1, SMAD2 LTA4H 2766/4885KDM4E 2260/4885PSMB1 2552/4885
US-20060004051-A1 Compounds SMAD3, SMAD2, TGFBR1 LTA4H 2999/4885KDM4E 649/4885PSMB1 3251/4885

“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.