SCHEMBL451258

SCHEMBL451258

CC[C](CC)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
CES1 P23141 7/20 0.52
CES2 O00748 6/20 0.52
ESR1 P03372 2/20 0.45
CYP19A1 P11511 1/20 0.45
ESR2 Q92731 1/20 0.45
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL1254294 0.87 ATM (0.48) ATMCES1CES2ESR1CYP19A1
SCHEMBL8582690 0.85 ATM (0.46) ATMCES1CES2ESR1CYP19A1
SCHEMBL814927 0.85 CES2 (0.52) ATMCES1CES2ESR1CYP19A1
SCHEMBL628981 0.83 ATM (0.45) ATMCES1CES2ESR1CYP19A1
SCHEMBL815083 0.81 PTGS2 (0.57) ATMCES1CES2ESR1PTGS2
SCHEMBL1774826 0.81 ATM (0.43) ATMCES1CES2ESR1CYP19A1
SCHEMBL6316616 0.80 ATM (0.41) ATMCES1CES2ESR1CYP19A1
SCHEMBL6062883 0.79 ALDH1A1 (0.50) ATMCES1CES2SMN1; SMN2L3MBTL1
SCHEMBL2358948 0.79 ATM (0.42) ATMCES1CES2ESR1CYP19A1
SCHEMBL2353597 0.79 CYP19A1 (0.44) ATMCES1CES2ESR1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4141038-B1 WOOD MATERIAL AND BINDER COMPOSITION AND METHOD FOR PRODUCING A WOOD MATERIAL SWISS KRONO Tec AG (CH) 2024-01-10 EP claimed
CN-109369835-A For the cyclopentadienyl rare-earth metal carbon monoxide-olefin polymeric of alpha-olefine polymerizing and its application 朱博源 2019-02-22 CN claimed
CN-109369837-A A kind of metallocene catalyst compositions and its application for alpha-olefine polymerizing 朱博源 2019-02-22 CN claimed
CN-108384469-A A kind of environment-friendly type wood seam filling agent 张彩萍 2018-08-10 CN claimed
EP-2797996-A1 REFLECTOR FOR LIGHT-EMITTING DEVICES Ticona LLC (US) 2014-11-05 EP claimed
WO-2013101277-A1 REFLECTOR FOR LIGHT-EMITTING DEVICES TICONA LLC (US) 2013-07-04 WO claimed
US-7923465-B2 CB2 agonists; pain, neurodegenative disorders, eating disorders, weight loss or control, obesity, dyslipidemia, drug abuse, vision defect, neurodegenerative diseases; 5-(2,4-difluorophenyl)-4,5-diazatricyclo[5.2.1.0.sup.2,6.]deca-2-(6),3-dien-3-yl-phenylmethanone; antiinflammatory agent, antidepressant GLENMARK PHARMACEUTICALS S.A. (CH) 2011-04-12 US claimed
EP-1902034-B1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS SA (CH) 2011-03-30 EP claimed
WO-2011031325-A2 ANION EXCHANGE POLYMER ELECTROLYTES LOS ALAMOS NATIONAL SECURITY, LLC (US) 2011-03-17 WO claimed
WO-2010080544-A1 CLEANING COMPOSITIONS AND METHODS HONEYWELL INTERNATIONAL, INC. (US) 2010-07-15 WO 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
US-6495725-B2 USEFUL AS CHEMICAL INTERMEDIATES FOR PROSTAGLANDINS AND DRUGS CHISSO CORPORATION (JP) 2002-12-17 US claimed
US-20020028958-A1 Process for the preparation of optically active enones and intermediates thereof JNC CORPORATION (JP) 2002-03-07 US claimed
EP-0901460-A1 A PROCESS FOR THE PREPARATION OF 5-AMINO-2,4,6-TRIIODO-1,3-BENZENEDICARBOXYLIC ACID DERIVATIVES BRACCO IMAGING S.p.A. (IT) 1999-03-17 EP claimed
WO-1998024757-A1 A PROCESS FOR THE PREPARATION OF 5-AMINO-2,4,6-TRIIODO-1,3-BENZENEDICARBOXYLIC ACID DERIVATIVES DIBRA S.P.A. (IT) 1998-06-11 WO claimed
US-4801706-A ANTIARRHYTHMIA HYPOTENSIVE AMERICAN HOME PRODUCTS CORPORATION (US) 1989-01-31 US claimed
EP-0073566-A1 Methods and compositions for combating soil pests IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-03-09 EP claimed
US-4172197-A BACTERICIDES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1979-10-23 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 (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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 ATM 3933/4885CES1 4486/4885CES2 4281/4885
US-20020028958-A1 Process for the preparation of optically active enones and intermediates thereof HSD17B7, NR3C2, CYP11B1 ATM 3816/4885CES1 1281/4885CES2 3045/4885

“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.