SCHEMBL542181

SCHEMBL542181

CCCc1cc(C)c(O)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.55
PTGS1 P23219 3/20 0.55
ESR1 P03372 3/20 0.48
ESR2 Q92731 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
SHBG P04278 1/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX5 P09917 1/20 0.42
CYP3A4 P08684 1/20 0.41
HMGB1 P09429 1/20 0.41
CXCL12 P48061 1/20 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
SCHEMBL28914097 0.98 PTGS2 (0.53) PTGS2PTGS1ESR1ESR2CA1
SCHEMBL5676527 0.89 HTT (0.50) PTGS2PTGS1ESR1ESR2HTT
SCHEMBL15065098 0.89 CNR1 (0.50) PTGS2PTGS1ESR1ESR2CA1
SCHEMBL3801816 0.87 PTGS1 (0.68) PTGS2PTGS1ESR1ESR2CA1
SCHEMBL1021110 0.87 SHBG (0.52) PTGS2PTGS1ESR1ESR2HTT
SCHEMBL8407969 0.86 SHBG (0.52) PTGS2PTGS1ESR1ESR2CA1
SCHEMBL200140 0.86 NPC1 (0.63) PTGS2PTGS1ESR1ESR2CA1
SCHEMBL29611970 0.85 SHBG (0.55) PTGS2PTGS1ESR1ESR2HTT
SCHEMBL1023359 0.85 SHBG (0.50) PTGS2PTGS1ESR1ESR2HTT
SCHEMBL10415447 0.85 PTGS2 (0.43) PTGS2PTGS1ESR1ESR2HTT

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

Appears in 2712 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228697-A1 TACKIFIER FOR ADHESIVE COMPOSITION LAWTER, INC. 2024-07-11 US claimed
CN-118271617-A Block type polyarylethersulfone anion exchange membrane containing comb-shaped alkane side chain structure, and preparation method and application thereof 华侨大学 2024-07-02 CN claimed
CN-118184983-A Polycarbonate resin for optical-grade application and preparation method thereof 万华化学集团股份有限公司 2024-06-14 CN claimed
CN-118165244-A Copolycarbonate and preparation method and application thereof 万华化学集团股份有限公司 2024-06-11 CN claimed
CN-115433350-B Preparation method of hyperbranched polysiloxane copolycarbonate 聊城鲁西聚碳酸酯有限公司 2024-05-24 CN claimed
CN-114672147-B Adamantane-containing random anion exchange membrane and preparation method thereof 华侨大学 2024-05-14 CN claimed
CN-117996078-A Battery binder, preparation method thereof and lithium ion battery 深圳市研一新材料有限责任公司 2024-05-07 CN claimed
CN-114230779-B Polycarbonate and preparation method and application thereof 万华化学集团股份有限公司 2024-05-03 CN claimed
CN-117964890-A Preparation method and application of isosorbide type copolycarbonate 中化学科学技术研究有限公司 2024-05-03 CN claimed
CN-117327265-B Preparation method of polycarbonate 上海芮澜工程科技有限公司 2024-04-16 CN claimed
WO-2002055585-A2 MELT POLYCARBONATE CATALYST SYSTEMS GEN ELECTRIC (US) 2002-07-18 WO claimed
CN-1330682-A X-ray contrasting moulded part with improved long-term stability BAYER AG (DE) 2002-01-09 CN claimed
CN-1253068-A Method and equipment for forming plastic sheet ROHM & HAAS (US) 2000-05-17 CN claimed
EP-0614926-B1 Polycarbonate and process for producing the same MITSUBISHI GAS CHEMICAL CO (JP) 1997-12-10 EP claimed
EP-0305214-B1 A polycarbonate-made optical article and method of preparation therefor IDEMITSU PETROCHEMICAL CO (JP) 1997-11-05 EP claimed
US-5428090-A Plastic molding materials MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1995-06-27 US claimed
EP-0305214-A2 A polycarbonate-made optical article and method of preparation therefor IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1989-03-01 EP claimed
EP-0176395-B1 COMPOSITIONS OF AROMATIC POLYCARBONATES WITH REDUCED COMBUSTIBILITY ELF ATOCHEM S.A. (FR) 1988-09-21 EP claimed
EP-0074296-B1 FLAME-RESISTANT RESINOUS COMPOSITION CONTAINING A POLYCARBONATE, A HEMI-ESTER OF PHOSPHONIC ACID AND OPTIONALLY OTHER ADDITIVES AND/OR FILLERS, AND HEMI-ESTERS OF PHOSPHONIC ACID ATO CHIMIE, Société Anonyme dite: (FR) 1985-11-06 EP claimed
WO-1982002051-A1 HIGH IMPACT,HIGH MODULUS FIBER REINFORCED AROMATIC CARBONATE POLYMERS GEN ELECTRIC (US) 1982-06-24 WO claimed