SCHEMBL91630

SCHEMBL91630

C=Cc1ccc(COCC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
TSHR P16473 3/20 0.36
HDAC8 Q9BY41 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN11 Q06124 1/20 0.35
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TACR2 P21452 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL8726810 0.94 ALDH1A1 (0.41) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7029023 0.90 ALDH1A1 (0.41) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8731331 0.89 PTPN2 (0.49) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5066935 0.87 ALDH1A1 (0.55) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
Styrene SCHEMBL28034826 0.86 TSHR (0.52) ALDH1A1TSHRTP53CA1CA2
SCHEMBL8730330 0.85 SPHK1 (0.36) ALDH1A1
SCHEMBL8730337 0.85 SPHK1 (0.36) ALDH1A1
Styrene SCHEMBL27272851 0.85 TSHR (0.50) ALDH1A1TSHRTP53RAB9ASMN1; SMN2
SCHEMBL316823 0.84 ALDH1A1 (0.42) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL27833652 0.83 TSHR (0.49) ALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118388726-A Solution polymerized styrene butadiene rubber containing N/O/Si functional monomer and preparation method thereof 湖南理工学院 2024-07-26 CN claimed
CN-116693782-A Thermoplastic elastomer containing O/N/Si functional monomer and preparation method thereof 湖南理工学院 2023-09-05 CN claimed
US-20160185887-A1 POLYMERIZABLE COMPOSITION FOR HIGH-REFRACTIVE OPTICAL MATERIAL AND METHOD FOR PREPARING HIGH-REFRACTIVE OPTICAL MATERIAL KOC SOLUTION CO., LTD. (KR) 2016-06-30 US claimed
US-5910516-A PHOTOPOLYMERIZING AN UNSATURATED COMPOUND, AN ULTRAVIOLET PHOTOINITIATOR AND A PHOTOCHROMIC COMPOUND; USING A FILTER WHICH ELIMINATES THE UV LIGHT OF WAVELENGTH SHORTER THAN 400 NM. TOKUYAMA CORPORATION (JP) 1999-06-08 US claimed
CN-118388726-A Solution polymerized styrene butadiene rubber containing N/O/Si functional monomer and preparation method thereof 湖南理工学院 2024-07-26 CN disclosed
WO-2024063595-A1 INK COMPOSITION, ORGANIC MATERIAL LAYER COMPRISING SAME, AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2024-03-28 WO disclosed
US-20230337530-A1 Novel Compound, Coating Composition Comprising Same, Organic Light-Emitting Device Using Same, and Manufacturing Method Therefor LG CHEM, LTD. (KR) 2023-10-19 US disclosed
US-20230337530-A1 Novel Compound, Coating Composition Comprising Same, Organic Light-Emitting Device Using Same, and Manufacturing Method Therefor LG CHEM, LTD. (KR) 2023-10-19 US disclosed
US-20230329095-A1 Novel Compound, Coating Composition Comprising Same, Organic Light-Emitting Device Using Same, and Manufacturing Method Therefor LG CHEM, LTD. (KR) 2023-10-12 US disclosed
US-20230329095-A1 Novel Compound, Coating Composition Comprising Same, Organic Light-Emitting Device Using Same, and Manufacturing Method Therefor LG CHEM, LTD. (KR) 2023-10-12 US disclosed
EP-4253389-A1 COMPOUND, COATING COMPOSITION COMPRISING SAME, ORGANIC LIGHT-EMITTING DEVICE USING SAME, AND MANUFACTURING METHOD THEREFOR Lg Chem, Ltd. (KR) 2023-10-04 EP disclosed
CN-116693782-A Thermoplastic elastomer containing O/N/Si functional monomer and preparation method thereof 湖南理工学院 2023-09-05 CN disclosed
US-5880170-A TRANSPARENT LENSES FORMED BY CURING TOKUYAMA CORPORATION (JP) 1999-03-09 US disclosed
EP-0681018-B1 Photochromic composition and method of producing photochromic cured product TOKUYAMA CORP (JP) 1999-03-03 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
EP-0795765-A2 Photopolymerizable composition and transparent cured product thereof TOKUYAMA CORPORATION (JP) 1997-09-17 EP disclosed
EP-0773271-A1 PROCESS FOR THE PRODUCTION OF PHOTOCHROMIC PRODUCT OF CURING TOKUYAMA CORPORATION (JP) 1997-05-14 EP disclosed
US-5621017-A PHOTOCHROMIC COMPOSITION INCLUDING RADICAL POLYMERIZABLE MONOMER, CHROMENE AND/OR SPIROOXAZINE BASED PHOTOCHROMIC COMPOUND, PHOTOPOLYMERIZATION INITIATOR TOKUYAMA CORPORATION (JP) 1997-04-15 US disclosed
EP-0681018-A2 Photochromic composition and method of producing photochromic cured product TOKUYAMA CORPORATION (JP) 1995-11-08 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 (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-20230337530-A1 Novel Compound, Coating Composition Comprising Same, Organic Light-Emitting Device Using Same, and Manufacturing Method Therefor NOTUM, OR51E2, ORMDL3 ALDH1A1 67/4885CHRNB2 3205/4885CHRNB4 3416/4885
US-20230329095-A1 Novel Compound, Coating Composition Comprising Same, Organic Light-Emitting Device Using Same, and Manufacturing Method Therefor NOTUM, OR51E2, ORMDL3 ALDH1A1 70/4885CHRNB2 3435/4885CHRNB4 3669/4885

“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.