SCHEMBL982001

SCHEMBL982001

CCCCCCc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.88
ESR1 P03372 2/20 0.88
ADRA2A P08913 2/20 0.88
ADORA3 P0DMS8 2/20 0.88
TACR2 P21452 2/20 0.88
SLC6A2 P23975 2/20 0.88
SLC6A4 P31645 2/20 0.88
SLC6A3 Q01959 2/20 0.88
ALDH1A1 P00352 2/20 0.88
HSD17B10 Q99714 2/20 0.88
KDM4E B2RXH2 1/20 0.88
LMNA P02545 1/20 0.88
SHBG P04278 1/20 0.88
TP53 P04637 1/20 0.88
CYP3A4 P08684 1/20 0.88
HSPD1 P10809 1/20 0.88
ADRB3 P13945 1/20 0.88
HTR2C P28335 1/20 0.88
HSPE1 P61604 1/20 0.88
HIF1A Q16665 1/20 0.88

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
SCHEMBL9227876 1.00 PTGS2 (0.88) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL28177799 1.00 PTGS2 (0.88) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL981447 1.00 PTGS2 (0.88) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL984111 1.00 PTGS2 (0.88) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL981893 1.00 PTGS2 (0.88) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL982373 1.00 PTGS2 (0.88) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL7934900 1.00 PTGS2 (0.88) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL982418 0.98 PTGS2 (0.84) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL7253630 0.98 PTGS2 (0.84) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL19497894 0.96 PTGS2 (0.81) PTGS2ESR1ADRA2AADORA3TACR2

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
CN-110461943-A Polycarbonate resin composition and molded article IDEMITSU KOSAN CO 2019-11-15 CN disclosed
CN-110461944-A Polycarbonate resin composition and molded article IDEMITSU KOSAN CO 2019-11-15 CN disclosed
EP-2275405-B1 PROCESS FOR PRODUCING ISOCYANATE USING DIARYL CARBONATE ASAHI CHEMICAL IND (JP) 2019-04-24 EP disclosed
CN-106459554-B Methacrylic resin composition 株式会社可乐丽 2018-12-21 CN disclosed
EP-2275406-B1 PROCESS FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2018-11-28 EP disclosed
CN-106163764-B Biaxially oriented film and its manufacturing method, polarizer protecting film, decorating film and laminate film 株式会社可乐丽 2018-11-27 CN disclosed
EP-2792673-B1 Carbamic acid ester derivatives for the production of isocyanate and aromatic hydroxy compounds ASAHI CHEMICAL IND (JP) 2018-07-25 EP disclosed
CN-108264631-A Curing agent and the resin combination for having used the curing agent 协立化学产业株式会社 2018-07-10 CN disclosed
CN-105745276-B Polycarbonate resin composition 出光兴产株式会社 2018-07-06 CN disclosed
CN-108219431-A Polycarbonate resin molding material 出光兴产株式会社 2018-06-29 CN disclosed
US-20100113823-A1 ISOCYANATE PRODUCTION PROCESS USING COMPOSITION CONTAINING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSFER AND STORAGE OF CARBAMIC ACID ESTER ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-05-06 US disclosed
EP-2147909-A1 METHOD FOR PRODUCTION OF ISOCYANATE USING COMPOSITION COMPRISING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSPORT OR STORAGE OF CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2010-01-27 EP disclosed
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP disclosed
US-5180521-A Liquid crystal displays, cyclohexyl nitriles MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1993-01-19 US disclosed
CN-1010781-B Solid catalyst for alpha-olefin directional polymerization, method for preparing the same and alpha-olefin polymerization method using the same SOLVAY (BE) 1990-12-12 CN disclosed
US-4846998-A LIQUID CRYSTALS, ESTERS, NITRILES; ETHERS, HYDROCARBONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-07-11 US disclosed
CN-87107090-A The solid catalyst and method for making and its alpha-olefine polymerizing method of employing that are used for the alpha-olefin tactic polymerization SOLVAY (BE) 1988-04-27 CN disclosed
US-4235736-A LIQUID CRYSTALS FOR USE IN DISPLAY SYSTEMS THOMSON-CSF (FR) 1980-11-25 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-20100113823-A1 ISOCYANATE PRODUCTION PROCESS USING COMPOSITION CONTAINING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSFER AND STORAGE OF CARBAMIC ACID ESTER PAH, APEH, CPS1 PTGS2 1309/4885ESR1 1799/4885ADRA2A 4329/4885
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 PTGS2 1163/4885ESR1 4389/4885ADRA2A 1102/4885

“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.