SCHEMBL1825367

SCHEMBL1825367

Cc1sccc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.47
CYP2A6 P11509 2/20 0.45
CYP2B6 P20813 1/20 0.45
PTGS2 P35354 1/20 0.44
PDPK1 O15530 1/20 0.40
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
ESR2 Q92731 1/20 0.38
BACE1 P56817 1/20 0.37
ALDH1A1 P00352 5/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
PRKCZ Q05513 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
SCHEMBL12837459 0.88 CYP2A6 (0.55) BCAT2CYP2A6CYP2B6PTGS2PDPK1
SCHEMBL8089263 0.81 PTGS2 (0.49) PTGS2ALDH1A1EDNRBEDNRAHPGD
SCHEMBL15605372 0.80 FABP3 (0.46) BCAT2PTGS2ALDH1A1LMNAHSD17B10
SCHEMBL16887409 0.79 PLA2G10 (0.40) CYP2A6PTGS2ALDH1A1HPGDMEN1
SCHEMBL8084175 0.79 HSD17B10 (0.44) ALDH1A1EDNRBEDNRAHPGDMEN1
SCHEMBL9812737 0.77 MAPK14 (0.50) CYP2A6CYP2B6ALDH1A1HPGDMEN1
SCHEMBL695291 0.77 PTGS1 (0.51) PTGS2PRKCZ
SCHEMBL28741253 0.76 ABL1 (0.46) PTGS2ESR2ALDH1A1HPGDMEN1
SCHEMBL693705 0.76 ACHE (0.42) ESR2MEN1KMT2AHSD17B10
SCHEMBL2040391 0.76 RXRA (0.47) ALDH1A1HSD17B10BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003517010-A 2003-05-20 JP claimed
EP-1153047-A1 METALLOCENE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN CATALYTIC SYSTEMS FOR THE POLYMERIZATION OF OLEFINS Basell Technology Company B.V. (NL) 2001-11-14 EP claimed
WO-2001044318-A1 METALLOCENE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN CATALYTIC SYSTEMS FOR THE POLYMERIZATION OF OLEFINS BASELL TECHNOLOGY COMPANY B.V. (NL) 2001-06-21 WO claimed
CN-117881653-A Palladium-free process for preparing acrylate compounds 安进公司 2024-04-12 CN disclosed
CN-116194211-A Method and apparatus for producing ammonia 日产化学株式会社 2023-05-30 CN disclosed
EP-3257093-B1 ELECTRONIC DEVICE CONTAINING CYCLIC LACTAMS MERCK PATENT GMBH (DE) 2021-07-07 EP disclosed
US-10919994-B2 Metallocene compound, catalyst component for olefin polymerization and catalyst for olefin polymerization containing the same, and method for producing olefin polymer using catalyst for olefin polymerization JAPAN POLYETHYLENE CORPORATION (JP) 2021-02-16 US disclosed
US-10249831-B2 Electronic device containing cyclic lactams MERCK PATENT GMBH (DE) 2019-04-02 US disclosed
EP-3056505-B1 METALLOCENE COMPLEX, PREPARATION METHOD THEREFOR, AND CATALYST COMPOSITION CHANGCHUN INST APPLIED CHEMISTRY CAS (CN) 2019-01-02 EP disclosed
EP-1883627-B1 BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC (CA) 2018-04-18 EP disclosed
US-9896519-B2 Metallocene complex, preparation method thereof and catalyst composition CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2018-02-20 US disclosed
WO-2003078480-A2 POLYCYCLIC, FUSED HETERORING COMPOUNDS, METAL COMPLEXES AND POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC. (US) 2003-09-25 WO disclosed
WO-2003045964-A1 METALLOCENE COMPOUNDS AND PROCESS FOR THE PREPARATION OF PROPYLENE POLYMERS BASELL POLYOLEFINE GMBH (DE) 2003-06-05 WO disclosed
US-20030036612-A1 Hetero cyclic metallocene compounds and use thereof in catalyst system for producing olefin polymers BASELL POLYOLEFINE GMBH (DE) 2003-02-20 US disclosed
US-6444833-B1 COORDINATION POLYMERIZATION CATALYSTS BASELL TECHNOLOGY COMPANY BV (NL) 2002-09-03 US disclosed
CN-1348459-A Heterocyclic metallocene compounds and their use in catalyst systems for producing olefin polymers BASELL TECHNOLOGY CO BV (NL) 2002-05-08 CN disclosed
CN-1347424-A Metallocene compounds, process for their preparation and their use in catalytic systems for polymerization of olefins BASELL TECHNOLOGY CO B V (NL) 2002-05-01 CN disclosed
EP-1157027-A1 HETEROCYCLIC METALLOCENE COMPOUNDS AND USE THEREOF IN CATALYST SYSTEMS FOR PRODUCING OLEFIN POLYMERS Basell Technology Company B.V. (NL) 2001-11-28 EP disclosed
WO-2001047939-A1 HETEROCYCLIC METALLOCENE COMPOUNDS AND USE THEREOF IN CATALYST SYSTEMS FOR PRODUCING OLEFIN POLYMERS BASELL TECHNOLOGY COMPANY B.V. (NL) 2001-07-05 WO disclosed
US-4203902-A Process for preparing 6- and 2-substituted-1-carbadethiapen-2-em-3-carboxylic acids MERCK & CO., INC. (US) 1980-05-20 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 (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-10249831-B2 Electronic device containing cyclic lactams OXA1L, UROD, MRPL21 BCAT2 298/4885CYP2A6 1416/4885CYP2B6 1211/4885
US-10919994-B2 Metallocene compound, catalyst component for olefin polymerization and catalyst for olefin polymerization containing the same, and method for producing olefin polymer using catalyst for olefin polymerization COG1, CPNE4, COG4 BCAT2 2946/4885CYP2A6 462/4885CYP2B6 571/4885

“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.