SCHEMBL2565281

SCHEMBL2565281

COC(=O)CC1CCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
BRD4 O60885 1/20 0.40
OPRK1 P41145 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA4 P22748 3/20 0.39
CA6 P23280 3/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MIF P14174 1/20 0.36

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
SCHEMBL4058485 0.95 CA1 (0.44) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL10504390 0.93 CA1 (0.47) NPC1RAB9ASMN1; SMN2PTGS1PTGS2
SCHEMBL6730172 0.93 CA1 (0.47) NPC1RAB9ASMN1; SMN2PTGS1PTGS2
SCHEMBL1254599 0.82 CYP2D6 (0.49) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL11763977 0.82 NPC1 (0.54) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL10642355 0.81 BRD4 (0.42) BRD4GAAMIF
SCHEMBL10637141 0.81 BRD4 (0.42) BRD4KMT2AGAAMIF
SCHEMBL15201209 0.80 BRD4 (0.36) BRD4GAATHRBMIF
SCHEMBL8829497 0.80 NPC1 (0.48) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL1397437 0.79 NPC1 (0.45) NPC1RAB9ASMN1; SMN2LMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410757-B1 TAXANE COMPOUNDS BIO RESEARCH CORPORATION OF YOKOHAMA (JP) 2002-06-25 US claimed
EP-2222668-B1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARM INC (US) 2011-11-02 EP disclosed
CN-101945862-A Tetrahydrocyclopenta [ b ] indol-3-yl carboxylic acid derivatives for the treatment of autoimmune and inflammatory disorders ARENA PHARM INC 2011-01-12 CN disclosed
US-20100273806-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2010-10-28 US disclosed
EP-2222668-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS Arena Pharmaceuticals, Inc. (US) 2010-09-01 EP disclosed
EP-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP disclosed
WO-2009078983-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2009-06-25 WO disclosed
US-7482372-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
US-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) SHEPPECK JAMES E (US) 2005-08-04 US disclosed
US-6906053-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
EP-1397137-A4 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP disclosed
EP-1397137-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-17 EP disclosed
EP-1029857-B1 Baccatin derivatives and a process for producing the same BIO RES CORP OF YOKOHAMA (JP) 2003-07-16 EP disclosed
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-10 US disclosed
WO-2002096426-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO disclosed
US-6410757-B1 TAXANE COMPOUNDS BIO RESEARCH CORPORATION OF YOKOHAMA (JP) 2002-06-25 US disclosed
EP-1029857-A1 Baccatin derivatives and a process for producing the same Bio Research Corporation of Yokohama (JP) 2000-08-23 EP disclosed
US-5667995-A MICROORGANISM CULTURE, BETA-OXIDATION, BIOSYNTHESIS FIRMENICH SA (CH) 1997-09-16 US disclosed
US-4039563-A Process for preparing cyclopent-2-en-1-one derivatives TEIJIN LIMITED (JA) 1977-08-02 US disclosed
US-3941828-A Process for the preparation of cyclic ketones FIRMENICH SA (CH) 1976-03-02 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 (3 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-20050171096-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM9 NPC1 1557/4885RAB9A 1620/4885SMN1; SMN2 3940/4885
US-20100273806-A1 TETRAHYDROCYCLOPENTA[B]INDOL-3-YL CARBOXYLIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS S1PR1, S1PR3, S1PR2 NPC1 818/4885RAB9A 2951/4885SMN1; SMN2 3722/4885
US-20030130273-A1 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAM17, ADAMTS1, ADAM8 NPC1 1843/4885RAB9A 1700/4885SMN1; SMN2 3986/4885

“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.