SCHEMBL2116954

SCHEMBL2116954

CCCOc1cccc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 13/20 0.70
HTR1D P28221 3/20 0.68
SLC6A4 P31645 2/20 0.64
HRH1 P35367 1/20 0.64
KCNA3 P22001 1/20 0.62
CNR1 P21554 1/20 0.60
CNR2 P34972 1/20 0.60
NR2E1 Q9Y466 1/20 0.58

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
SCHEMBL30209610 1.00 HTR1B (0.70) HTR1BHTR1DSLC6A4HRH1KCNA3
Methane SCHEMBL27919303 0.96 HTR1B (0.66) HTR1BHTR1DSLC6A4HRH1KCNA3
SCHEMBL1004658 0.90 HTR1B (0.73) HTR1BHTR1DSLC6A4HRH1KCNA3
SCHEMBL10629369 0.89 CNR1 (0.58) HTR1BHTR1DSLC6A4HRH1KCNA3
SCHEMBL250503 0.89 HTR1B (0.71) HTR1BHTR1DSLC6A4HRH1KCNA3
SCHEMBL8863052 0.87 CYP2A6 (0.56) HTR1BHTR1DSLC6A4HRH1KCNA3
SCHEMBL5289923 0.87 HTR1B (0.77) HTR1BHTR1DSLC6A4HRH1KCNA3
SCHEMBL30503979 0.87 CYP2A6 (0.56) HTR1BHTR1DSLC6A4HRH1KCNA3
SCHEMBL18551586 0.87 HTR1B (0.69) HTR1BHTR1DSLC6A4HRH1KCNA3
SCHEMBL20506760 0.87 HTR1B (0.69) HTR1BHTR1DSLC6A4HRH1KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108689809-A A kind of clean preparation method of bromelia and application 盐城市东港药物化工发展有限公司 2018-10-23 CN claimed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US claimed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US claimed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 EP claimed
CN-101574646-B Lipase bonded stationary phase and preparation method and use thereof UNIV CHINA AGRICULTURAL 2011-07-20 CN claimed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 WO claimed
CN-101574646-A Lipase bonded stationary phase and preparation method and use thereof UNIV CHINA AGRICULTURAL (CN) 2009-11-11 CN claimed
CN-120077329-A Photosensitive resin composition, photosensitive resin laminate, and method for forming resist pattern 旭化成株式会社 2025-05-30 CN disclosed
WO-2024085254-A1 PHOTOSENSITIVE RESIN COMPOSITION, PHOTOSENSITIVE RESIN MULTILAYER BODY, AND METHOD FOR FORMING RESIST PATTERN 旭化成株式会社 2024-04-25 WO disclosed
CN-111886274-B Alkali-soluble resin containing unsaturated group, photosensitive resin composition containing the same as essential component, and cured product thereof 日铁化学材料株式会社 2024-01-09 CN disclosed
US-11840015-B2 Composition for optical three-dimensional shaping, three-dimensionally shaped article, and method for producing same OKAMOTO CHEMICAL INDUSTRY CO., LTD. (JP) 2023-12-12 US disclosed
EP-3904414-B1 COMPOSITION FOR OPTICAL THREE-DIMENSIONAL SHAPING, THREE-DIMENSIONALLY SHAPED ARTICLE, AND METHOD FOR PRODUCING SAME OKAMOTO CHEMICAL IND CO LTD (JP) 2023-12-06 EP disclosed
CN-117063121-A Photosensitive film, photosensitive element, and method for producing laminate 株式会社力森诺科 2023-11-14 CN disclosed
US-4543207-A ORGANIC ACID ESTERS, AROMATIC ETHERS, ANIMAL OILS, VEGETABLE OILS,AND AROMATIC OLEFINS NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1985-09-24 US disclosed
EP-0114385-A2 Electrical insulating oil and oil-filled electrical appliances NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1984-08-01 EP disclosed
US-4283486-A DISCOLORATION INHIBITION FUJI PHOTO FILM CO., LTD. (JP) 1981-08-11 US disclosed
US-4087439-A New high melting N,N'-terephthaloyl bis-phthalimide and its use as an ester interlinking agent for polyesters THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-05-02 US disclosed
US-4022620-A SILVER HALIDE, AMINE FUJI PHOTO FILM CO., LTD. (JA) 1977-05-10 US disclosed
US-4017463-A High melting N,N-terephthaloyl bis-phthalimide and its use as an ester interlinking agent for polyesters THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-04-12 US disclosed
US-3990896-A YELLOW COLOR FORMING COUPLERS WITH 5-ALKYLIDINE-3-HYDANTOINYL GROUPS FUJI PHOTO FILM CO., LTD. (JA) 1976-11-09 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-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B HTR1B 81/4885HTR1D 218/4885SLC6A4 271/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B HTR1B 81/4885HTR1D 218/4885SLC6A4 271/4885

“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.