SCHEMBL6981260

SCHEMBL6981260

CS(=O)(=O)OCCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MMP9 P14780 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
HRH1 P35367 6/20 0.46
HTR2A P28223 5/20 0.46
SIGMAR1 Q99720 3/20 0.43
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
GRM2 Q14416 1/20 0.37
GRM3 Q14832 1/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
SMPD1 P17405 1/20 0.37

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
SCHEMBL13527883 0.95 KDM4E (0.52) LMNAKDM4EUSP2ALDH1A1MMP9
SCHEMBL3391000 0.89 HRH1 (0.42) LMNAKDM4EUSP2ALDH1A1MMP9
SCHEMBL7002076 0.85 TSHR (0.44) LMNAKDM4EUSP2ALDH1A1MMP9
SCHEMBL9396248 0.83 ALDH1A1 (0.42) LMNAKDM4EUSP2ALDH1A1MMP9
SCHEMBL9874516 0.83 CYP19A1 (0.40) LMNAKDM4EUSP2ALDH1A1MMP9
SCHEMBL5492188 0.81 CHRNB2 (0.44) HRH1HTR2ACASR
SCHEMBL991559 0.81 KDM4E (0.40) LMNAKDM4EUSP2ALDH1A1MMP9
SCHEMBL11852507 0.81 HRH1 (0.44) TSHRHRH1HTR2ASIGMAR1GRM2
SCHEMBL10472662 0.79 RIPK1 (0.46) LMNAKDM4EUSP2ALDH1A1MMP9
SCHEMBL11044391 0.77 MMP13 (0.39) LMNAKDM4EUSP2ALDH1A1MMP9

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923575-B1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-12 EP disclosed
US-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 US disclosed
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
US-6172085-B1 CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
EP-0179383-B1 9-AMINO-1,2,3,4-TETRAHYDROACRIDIN-1-OL AND RELATED COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-05-29 EP disclosed
US-4960767-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-10-02 US disclosed
EP-0353631-A2 Isoxazolobenzoxazepines, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1990-02-07 EP disclosed
US-4839364-A ALZHEIMER*S DISEASE; CHOLINESTERASE INHIBITORS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-06-13 US disclosed
US-4835275-A Method of preparing 9-amino-1,2,3,4,-tetrahydroacridin-1-ones and related compounds HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-05-30 US disclosed
US-4754050-A COGNITION ACTIVATORS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-06-28 US disclosed
US-4695573-A COGNITION ACTIVATORS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-09-22 US disclosed
US-4631286-A MEMORY ENHANCERS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1986-12-23 US disclosed
EP-0179383-A2 9-Amino-1,2,3,4-tetrahydroacridin-1-ol and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-04-30 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 (1 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-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR LMNA 2418/4885KDM4E 4000/4885USP2 4604/4885

“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.