SCHEMBL142163

SCHEMBL142163

Cc1cc(C=O)cc(C)c1CCCO

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.42
KDM4E B2RXH2 2/20 0.33
ALDH1A3 P47895 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
CYP2A6 P11509 1/20 0.32
CYP4A11 Q02928 2/20 0.32
CYP4F2 P78329 1/20 0.32
HTR1D P28221 1/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL1860214 0.88 SRC (0.37) SRCKDM4ECYP4A11CYP4F2
SCHEMBL27871739 0.85 SRC (0.46) SRCKDM4EALDH1A3ALDH1A1CYP2A6
SCHEMBL15338688 0.79 SRC (0.44) SRCALDH1A3ALDH1A1CYP2A6HTR1D
SCHEMBL150381 0.78 ALDH1A1 (0.46) KDM4EALDH1A1TNKS2
SCHEMBL1856998 0.77 NPSR1 (0.50) SRCKDM4EALDH1A1
SCHEMBL378363 0.76 SRC (0.50) SRCKDM4EALDH1A1POLB
Ammonia Solution, Strong SCHEMBL28790127 0.76 NPSR1 (0.48) SRCKDM4EALDH1A1
SCHEMBL145729 0.74 SRC (0.49) SRCKDM4EALDH1A1POLB
SCHEMBL9712548 0.74 SRC (0.42) SRCKDM4EALDH1A3ALDH1A1CYP2A6
SCHEMBL1858828 0.72 ACHE (0.37) KDM4EALDH1A1POLBCYP4A11CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408454-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2024-07-24 EP disclosed
CN-107252429-B Novel anti-inflammatory agent 雷斯韦洛吉克斯公司 2023-06-16 CN disclosed
US-11407719-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2022-08-09 US disclosed
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2021-03-11 US disclosed
US-10882828-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2021-01-05 US disclosed
EP-3431086-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2020-06-17 EP disclosed
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2020-04-30 US disclosed
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2019-04-25 US disclosed
EP-3431086-A1 NOVEL ANTI-INFLAMMATORY AGENTS Resverlogix Corp. (CA) 2019-01-23 EP disclosed
US-10131640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2018-11-20 US disclosed
US-20100204198-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2010-08-12 US disclosed
US-20100204198-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2010-08-12 US disclosed
US-7723378-B2 G protein-coupled receptor S1P1/EDG1 agonists; 3-(4-hydroxy-3,5-dimethyl-phenyl)-1-(3,5,5-trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophen-1-yl)-propan-1-one; transplant rejection, graft-versus-host diseases, autoimmune syndromes; side effects reduction; immunosuppressive agents; Crohn's disease ACTELION PHARMACEUTICALS LTD. (CH) 2010-05-25 US disclosed
US-7723378-B2 G protein-coupled receptor S1P1/EDG1 agonists; 3-(4-hydroxy-3,5-dimethyl-phenyl)-1-(3,5,5-trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophen-1-yl)-propan-1-one; transplant rejection, graft-versus-host diseases, autoimmune syndromes; side effects reduction; immunosuppressive agents; Crohn's disease ACTELION PHARMACEUTICALS LTD. (CH) 2010-05-25 US disclosed
US-7723378-B2 G protein-coupled receptor S1P1/EDG1 agonists; 3-(4-hydroxy-3,5-dimethyl-phenyl)-1-(3,5,5-trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophen-1-yl)-propan-1-one; transplant rejection, graft-versus-host diseases, autoimmune syndromes; side effects reduction; immunosuppressive agents; Crohn's disease ACTELION PHARMACEUTICALS LTD. (CH) 2010-05-25 US disclosed
US-20080176926-A1 G protein-coupled receptor S1P1/EDG1 agonists; 3-(4-hydroxy-3,5-dimethyl-phenyl)-1-(3,5,5-trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophen-1-yl)-propan-1-one; transplant rejection, graft-versus-host diseases, autoimmune syndromes; side effects reduction; immunosuppressive agents; Crohn's disease ACTELION PHARMACEUTICALS LTD. (CH) 2008-07-24 US disclosed
US-20080176926-A1 G protein-coupled receptor S1P1/EDG1 agonists; 3-(4-hydroxy-3,5-dimethyl-phenyl)-1-(3,5,5-trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophen-1-yl)-propan-1-one; transplant rejection, graft-versus-host diseases, autoimmune syndromes; side effects reduction; immunosuppressive agents; Crohn's disease ACTELION PHARMACEUTICALS LTD. (CH) 2008-07-24 US disclosed
US-20080176926-A1 G protein-coupled receptor S1P1/EDG1 agonists; 3-(4-hydroxy-3,5-dimethyl-phenyl)-1-(3,5,5-trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophen-1-yl)-propan-1-one; transplant rejection, graft-versus-host diseases, autoimmune syndromes; side effects reduction; immunosuppressive agents; Crohn's disease ACTELION PHARMACEUTICALS LTD. (CH) 2008-07-24 US disclosed
EP-1863787-A1 HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS Actelion Pharmaceuticals Ltd. (CH) 2007-12-12 EP disclosed
WO-2006100631-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 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 (8 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-20100204198-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS NFATC1, ICOS, TPMT SRC 717/4885KDM4E 720/4885ALDH1A3 2567/4885
US-11407719-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 SRC 2560/4885KDM4E 3982/4885ALDH1A3 2124/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 SRC 2560/4885KDM4E 3982/4885ALDH1A3 2124/4885
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 SRC 2560/4885KDM4E 3982/4885ALDH1A3 2124/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 SRC 2560/4885KDM4E 3982/4885ALDH1A3 2124/4885
US-20080176926-A1 G protein-coupled receptor S1P1/EDG1 agonists; 3-(4-hydroxy-3,5-dimethyl-phenyl)-1-(3,5,5-trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophen-1-yl)-propan-1-one; transplant rejection, graft-versus-host diseases, autoimmune syndromes; side effects reduction; immunosuppressive agents; Crohn's disease S1PR1, S1PR3, S1PR5 SRC 3549/4885KDM4E 1167/4885ALDH1A3 3529/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 SRC 2864/4885KDM4E 3726/4885ALDH1A3 2185/4885
US-20200129512-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 SRC 3607/4885KDM4E 3020/4885ALDH1A3 3552/4885

“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.