SCHEMBL317685

SCHEMBL317685

CCCCO[CH]c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.47
CYP1A2 P05177 2/20 0.41
RELA Q04206 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
FAAH O00519 1/20 0.38
CHRNA7 P36544 2/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
BCHE P06276 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL814450 0.94 LTA4H (0.47) LTA4HTDP1TSHRLMNAFAAH
SCHEMBL41193 0.92 LTA4H (0.46) LTA4HTDP1TSHRLMNAFAAH
SCHEMBL8847319 0.92 LTA4H (0.46) LTA4HTDP1TSHRLMNAFAAH
SCHEMBL1272188 0.92 LTA4H (0.46) LTA4HTDP1TSHRLMNAFAAH
SCHEMBL815740 0.92 LTA4H (0.46) LTA4HTDP1TSHRLMNAFAAH
SCHEMBL10857428 0.92 LTA4H (0.46) LTA4HTDP1TSHRLMNAFAAH
SCHEMBL815747 0.87 MEN1 (0.39) LTA4HCYP1A2RELALMNACHRNA7
SCHEMBL406836 0.80 RELA (0.47) LTA4HCYP1A2RELATDP1CHRNA7
SCHEMBL17865334 0.80 RELA (0.47) LTA4HCYP1A2RELATDP1CHRNA7
SCHEMBL6055045 0.80 RELA (0.47) LTA4HCYP1A2RELATDP1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514624-A N-monofluoromethyl carbonyl compound and preparation method thereof 中山大学附属第一医院 2023-08-01 CN claimed
CN-101914031-B Pregabalin derivative and application thereof GUANGZHOU ANALYSIS & TEST CT CHINA 2013-08-28 CN claimed
CN-101914031-A Pregabalin derivative and application thereof GUANGZHOU ANALYSIS & TEST CT CHINA 2010-12-15 CN claimed
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US claimed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP claimed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US claimed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
EP-1150997-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2001-11-07 EP claimed
WO-2000043415-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 WO claimed
US-5885548-A Multiply substituted DTPA derivatives and their metal complexes, and their metal complexes, pharmaceutical agents that contain these complexes, their use in diagnosis and therapy, as well as process for the production of pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-23 US claimed
US-5853699-A Use of tetra azacycle complexes as x-ray diagnostic agents for the liver and gallbladder SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-29 US claimed
US-5746995-A DTPA derivatives substituted in a novel way, their metal complexes, and their use in diagnosis and therapy SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-05 US claimed
EP-0794939-A1 NOVEL MULTIPLE-SUBSTITUENT DTPA DERIVATIVES AND METAL COMPLEXES THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPLEXES, THEIR USE IN DIAGNOSIS AND THERAPY, METHODS OF PREPARING THE COMPLEXING AGENTS AND COMPLEXES AND METHODS OF PREPARING THE PHARMACEUTICAL COMPOSITIONS SCHERING AKTIENGESELLSCHAFT (DE) 1997-09-17 EP claimed
EP-0794938-A1 NOVEL SUBSTITUTED DTPA DERIVATIVES, THEIR METAL COMPLEXES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPLEXES AND THEIR USE IN DIAGNOSIS AND THERAPY SCHERING AKTIENGESELLSCHAFT (DE) 1997-09-17 EP claimed
EP-0752622-A1 Acetal polymers useful in photosensitive compositions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-01-08 EP claimed
US-5534381-A POLYMERS FOR LITHOGRAPHIC PRINTING PLATES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-07-09 US claimed
WO-1996016928-A1 NOVEL SUBSTITUTED DTPA DERIVATIVES, THEIR METAL COMPLEXES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPLEXES AND THEIR USE IN DIAGNOSIS AND THERAPY SCHERING AKTIENGESELLSCHAFT (DE) 1996-06-06 WO claimed
WO-1996016929-A1 NOVEL MULTIPLE-SUBSTITUENT DTPA DERIVATIVES AND METAL COMPLEXES THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPLEXES, THEIR USE IN DIAGNOSIS AND THERAPY, METHODS OF PREPARING THE COMPLEXING AGENTS AND COMPLEXES AND METHODS OF PREPARING THE PHARMACEUTICAL COMPOSITIONS SCHERING AKTIENGESELLSCHAFT (DE) 1996-06-06 WO claimed
US-4268439-A Basic azo dyestuffs having benzylammoniumamine substituent in the coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 US claimed

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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 LTA4H 147/4885CYP1A2 2390/4885RELA 838/4885

“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.