SCHEMBL819814

SCHEMBL819814

COc1ccc(OBO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.58
CA2 P00918 5/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA12 O43570 1/20 0.58
CA14 Q9ULX7 1/20 0.58
ACHE P22303 1/20 0.48
LTA4H P09960 1/20 0.46
ESR2 Q92731 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ENPP2 Q13822 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL16351749 0.93 LTA4H (0.58) CA1CA2CA7CA9CA12
SCHEMBL14477632 0.86 MEN1 (0.33) CA1CA2CA7CA9CA12
1,4-Dimethoxybenzene SCHEMBL4957328 0.83 CA1 (0.73) CA1CA2CA7CA9CA12
SCHEMBL8402770 0.81 CYP1A2 (0.56) MAPK1ALDH1A1KDM4ENPC1MAPT
SCHEMBL16303509 0.79 ALDH1A1 (0.58) CA1CA2MAPK1ALDH1A1KDM4E
SCHEMBL2602434 0.79 ACHE (0.48) CA1CA2CA9ACHETDP1
SCHEMBL21889 0.78 CA1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL20413238 0.77 ABL1 (0.56) CYP3A4
SCHEMBL2604701 0.77 ACHE (0.50) CA1CA2CA7CA9ACHE
1,4-Dimethoxybenzene SCHEMBL8489 0.76 CA1 (1.00) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113004194-B Circular polarization luminescent organic micro-nano crystal material and preparation method and application thereof 中国科学院化学研究所 2022-12-09 CN claimed
CN-105949041-A Anthracene-based compound with isotropic oxygen atom substituent group, preparation method and application 南京工业大学 2016-09-21 CN claimed
US-11858952-B2 Compound and color conversion film comprising same LG CHEM, LTD. (KR) 2024-01-02 US disclosed
US-20230373989-A1 N-PHENYLAMINOCARBONYL PYRIDINO-, PYRIMIDINO AND BENZO-TROPANES AS MODULATORS OF GPR65 Pathios Therapeutics Limited (GB) 2023-11-23 US disclosed
CN-114656397-B Compound, two-dimensional organic crystal containing compound, preparation method and application 中国科学院化学研究所 2023-07-25 CN disclosed
CN-113004194-B Circular polarization luminescent organic micro-nano crystal material and preparation method and application thereof 中国科学院化学研究所 2022-12-09 CN disclosed
CN-114901664-A Pyridone compound and application thereof 江苏先声药业有限公司 2022-08-12 CN disclosed
WO-2021139775-A1 PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2021-07-15 WO disclosed
CN-113004194-A Circular polarization luminescent organic micro-nano crystal material and preparation method and application thereof 中国科学院化学研究所 2021-06-22 CN disclosed
CN-105272967-B Triazines epidermal growth factor receptor inhibitor and its application 南京圣和药业股份有限公司 2019-05-24 CN disclosed
CN-108484598-A Indolizine derivative and application thereof in medicine 杭州安道药业有限公司 2018-09-04 CN disclosed
US-8394468-B2 Polymerizable compound and liquid crystal composition including it JNC CORPORATION (JP) 2013-03-12 US disclosed
US-8372857-B2 Substituted 4-hydroxypyrimidine-5-carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-12 US disclosed
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME CORP. 2013-01-10 US disclosed
US-20120232310-A1 PALLADIUM CATALYST AND PROCESS FOR PRODUCTION OF BISARYL COMPOUND USING SAME NIIGATA UNIVERSITY (JP) 2012-09-13 US disclosed
US-20120142694-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2012-06-07 US disclosed
US-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT JNC PETROCHEMICAL CORPORATION (JP) 2012-04-19 US disclosed
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-03-03 US disclosed
EP-0974595-B1 PROCESS FOR PRODUCING BORON COMPOUNDS SHOWA DENKO KK (JP) 2003-10-01 EP disclosed
EP-0974595-A1 PROCESS FOR PRODUCING BORON COMPOUNDS Showa Denko Kabushiki Kaisha (JP) 2000-01-26 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 (7 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-20120142694-A1 SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES HIF1AN, EGLN2, EGLN3 CA1 2396/4885CA2 490/4885CA7 1373/4885
US-20230373989-A1 N-PHENYLAMINOCARBONYL PYRIDINO-, PYRIMIDINO AND BENZO-TROPANES AS MODULATORS OF GPR65 GPR65, GPR55, GPR68 CA1 4017/4885CA2 2196/4885CA7 3127/4885
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE GLP1R, GCGR, GIPR CA1 4002/4885CA2 2119/4885CA7 3171/4885
US-11858952-B2 Compound and color conversion film comprising same BLVRB, CDYL, CRY1 CA1 2367/4885CA2 4342/4885CA7 1786/4885
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PFAS, ODC1, AOC1 CA1 1711/4885CA2 3526/4885CA7 739/4885
US-20120232310-A1 PALLADIUM CATALYST AND PROCESS FOR PRODUCTION OF BISARYL COMPOUND USING SAME PDCD2L, DDT, IPMK CA1 2242/4885CA2 1351/4885CA7 1347/4885
US-20120092608-A1 POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL COMPOSITION INCLUDING IT KLK3, PDE7A, FZD7 CA1 734/4885CA2 3336/4885CA7 145/4885

“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.