SCHEMBL5657133

SCHEMBL5657133

O=C(OCC#CCO)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.47
F2 P00734 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
RECQL P46063 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL577020 0.92 TDP1 (0.61) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL8649254 0.85 TDP1 (0.57) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL5655771 0.84 TDP1 (0.52) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL23083199 0.82 CHRM2 (0.42) LMNAALDH1A1CHRM2CHRM4CHRM1
SCHEMBL576103 0.81 LMNA (0.55) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL11310553 0.81 TDP1 (0.53) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL15863301 0.81 TDP1 (0.53) TDP1MAPK1HIF1ASLC6A2SLC6A3
Benzene SCHEMBL28861687 0.81 LMNA (0.55) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL2161673 0.81 TDP1 (0.49) TDP1MAPK1HIF1ASLC6A2SLC6A3
SCHEMBL15635611 0.80 TDP1 (0.52) TDP1MAPK1HIF1ASLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6156692-A Ruthenium-containing catalyst composition for olefin metathesis BP AMOCO CORPORATION (US) 2000-12-05 US claimed
CN-100342037-C Heat treatment method for a cold-rolled strip with an Ni and/or Co surface coating, sheet metal producible by said method and battery can producible by said method HILLE & MUELLER GMBH (DE) 2007-10-10 CN disclosed
US-7179911-B2 coupling a silyl ester of (3S)-2,2-dimethyl-tetrahydro-2H-1,4-thiazine-3-carboxylic acid with 6,4-[4-(chlorosulfonyl)phenoxy]-2-butynyl acetate, hydrolyzing the silyl ester WYETH (US) 2007-02-20 US disclosed
WO-2005123705-A1 METHOD FOR PREPARING HYDROXAMIC ACIDS WYETH (US) 2005-12-29 WO disclosed
US-20050272928-A1 Method for preparing hydroxamic acids WYETH (US) 2005-12-08 US disclosed
CN-1636073-A Heat treatment method for a cold-rolled strip with an Ni and/or Co surface coating, sheet metal producible by said method and battery can producible by said method HILLE & MUELLER GMBH (DE) 2005-07-06 CN disclosed
US-20030144319-A1 Subtype-selective NMDA receptor ligands and the use thereof BIGGE CHRISTOPHER F (US) 2003-07-31 US disclosed
US-6534522-B2 E.g.,N-((4-amino-3-nitrophenoxy)ethyl)-1,2,3,4-tetrahydro -isoquinoline; stroke; antiischemic agents; CNS trauma, hyperglycemic agents; surgery; neurodegenerative diseases including Alzheimer's disease, amyotrophic lateral sclerosis WARNER-LAMBERT COMPANY 2003-03-18 US disclosed
EP-0841988-B1 A RUTHENIUM-BASED CATALYST COMPOSITION FOR OLEFIN METATHESIS BP CORP NORTH AMERICA INC (US) 2002-06-19 EP disclosed
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof BIGGE CHRISTOPHER F (US) 2001-12-13 US disclosed
US-6156692-A Ruthenium-containing catalyst composition for olefin metathesis BP AMOCO CORPORATION (US) 2000-12-05 US disclosed
US-6143851-A Process for preparation of addition products of difunctional telechelic polyolefins from cyclic olefins by olefin metathesis reaction BP AMOCO CORPORATION (US) 2000-11-07 US disclosed
US-6060570-A Process for preparation of addition products of difunctional telechelic polyolefins from cyclic olefins by olefin metathesis reaction BP AMOCO CORPORATION (US) 2000-05-09 US disclosed
WO-1999022866-A1 A RUTHENIUM-CONTAINING CATALYST SYSTEM FOR OLEFIN METATHESIS BP AMOCO CORPORATION (US) 1999-05-14 WO disclosed
EP-0857183-A1 PROCESS FOR PREPARATION OF ADDITION PRODUCTS OF DIFUNCTIONAL TELECHELIC POLYOLEFINS FROM CYCLIC OLEFINS BY OLEFIN METATHESIS REACTION AMOCO CORPORATION (US) 1998-08-12 EP disclosed
EP-0841988-A1 A RUTHENIUM-BASED CATALYST SYSTEM FOR OLEFIN METATHESIS AMOCO CORPORATION (US) 1998-05-20 EP disclosed
WO-1998006771-A1 PROCESS FOR PREPARATION OF ADDITION PRODUCTS OF DIFUNCTIONAL TELECHELIC POLYOLEFINS FROM CYCLIC OLEFINS BY OLEFIN METATHESIS REACTION AMOCO CORPORATION (US) 1998-02-19 WO disclosed
WO-1997040934-A1 A RUTHENIUM-BASED CATALYST SYSTEM FOR OLEFIN METATHESIS AMOCO CORPORATION (US) 1997-11-06 WO disclosed
US-5173113-A Low-solvent or nonsolvent, quick drying TOPEZ COMPANY (IO) 1992-12-22 US disclosed
EP-0141873-A1 Substituted diphenyl ether herbicides and process for use GAF CORPORATION (US) 1985-05-22 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 (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-20050272928-A1 Method for preparing hydroxamic acids H1-5, HDAC5, PGA5 TDP1 3873/4885MAPK1 3177/4885HIF1A 133/4885
US-20030144319-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 TDP1 2512/4885MAPK1 1500/4885HIF1A 319/4885
US-20010051633-A1 Subtype-selective NMDA receptor ligands and the use thereof OPRK1, OPRD1, OPRL1 TDP1 2512/4885MAPK1 1500/4885HIF1A 319/4885

“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.