SCHEMBL1659517

SCHEMBL1659517

NC(=O)C1CC2CC1CC2C(=O)NO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HDAC4 P56524 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ PMP22 Q01453 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ EPHX1 P07099 1/20 0.30
▸ PSEN1 P49768 3/20 0.30
▸ PSEN2 P49810 3/20 0.30
▸ APH1B Q8WW43 3/20 0.30
▸ NCSTN Q92542 3/20 0.30
▸ APH1A Q96BI3 3/20 0.30
▸ PSENEN Q9NZ42 3/20 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
SCHEMBL29178205 0.83 EPHX1 (0.39) EPHX1
SCHEMBL22604587 0.78 EPHX1 (0.39) EPHX1
SCHEMBL3918742 0.73 EPHX1 (0.32) EPHX1
SCHEMBL13533362 0.71 EPHX1 (0.45) EPHX1
SCHEMBL15772906 0.70 GRM4 (0.54) LMNAKDM4EHDAC4TSHR
SCHEMBL27594768 0.68 PSEN1 (0.40) LMNAKDM4EHDAC4HDAC8HDAC6
SCHEMBL28236109 0.64 CHRNB2 (0.38) CYP3A4TSHREPHX1PSEN1PSEN2
SCHEMBL3936753 0.64 POLB (0.44) KDM4ECYP3A4
SCHEMBL277846 0.64 EPHX1 (0.50) LMNAKDM4EEPHX1PSEN1PSEN2
SCHEMBL20876415 0.64 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8709450-B2 Cellulose derivative and hydrogel thereof TEIJIN LIMITED (JP) 2014-04-29 — — US disclosed
US-20110178184-A1 HYDROGEL TEIJIN LIMITED (JP) 2011-07-21 — — US disclosed
CN-102112496-A Hydrogel TEIJIN LTD 2011-06-29 — — CN disclosed
US-20110129505-A1 CELLULOSE DERIVATIVE AND HYDROGEL THEREOF TEIJIN LIMITED (JP) 2011-06-02 — — US disclosed
EP-2311883-A1 HYDROGEL Teijin Limited (JP) 2011-04-20 — — EP disclosed
EP-2236522-A1 CELLULOSE DERIVATIVE AND HYDROGEL THEREOF Teijin Limited (JP) 2010-10-06 — — EP disclosed
US-20100184952-A1 METHOD FOR SELECTIVE REMOVAL OF DIBENZOFULVENE DERIVATIVE AJINOMOTO CO., INC (JP) 2010-07-22 — — US disclosed
EP-2181983-A1 METHOD FOR SELECTIVE REMOVAL OF DIBENZOFULVENE DERIVATIVE Ajinomoto Co., Inc. (JP) 2010-05-05 — — EP disclosed
US-6632807-B1 (2R,4S)-(−)-[N-(4-diethoxyphosphorylmethyl)phenyl]-1,2,4,5- tetrahydro-4-methyl-7,8-methylenedioxy-5-oxo-3-benzothiepin-2-carboxamide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-10-14 — — US disclosed
US-6346521-B1 OSTEOGENESIS PROMOTERS FOR BONE DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-12 — — US disclosed
EP-0719782-B1 Optically active benzothiepin derivative, its preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-07-04 — — EP disclosed
US-5952512-A Production of optically active benzothiepin salts TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-14 — — US disclosed
EP-0842179-A1 PRODUCTION OF OPTICALLY ACTIVE BENZOTHIEPIN SALTS Takeda Chemical Industries, Ltd. (JP) 1998-05-20 — — EP disclosed
EP-0585913-B1 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-12-29 — — EP disclosed
US-5700810-A Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-12-23 — — US disclosed
WO-1997003989-A1 PRODUCTION OF OPTICALLY ACTIVE BENZOTHIEPIN SALTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-02-06 — — WO disclosed
EP-0719782-A1 Optically active benzothiepin derivative, its preparation and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-03 — — EP disclosed
US-5482967-A LOWERING CHOLESTEROL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-09 — — US disclosed
EP-0585913-A2 Condensed heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-09 — — 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 (2 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-20110129505-A1 CELLULOSE DERIVATIVE AND HYDROGEL THEREOF F12, H1-4, H1-3 LMNA 3411/4885KDM4E 475/4885HDAC4 1356/4885
US-20100184952-A1 METHOD FOR SELECTIVE REMOVAL OF DIBENZOFULVENE DERIVATIVE DDC, DNPEP, DBF4 LMNA 1517/4885KDM4E 36/4885HDAC4 2191/4885

“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.

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