SCHEMBL8459673

SCHEMBL8459673

CCc1ccccc1COC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.39
IDO1 P14902 3/20 0.39
MGLL Q99685 1/20 0.39
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDK2 Q15119 1/20 0.38
FFAR1 O14842 1/20 0.37
CTSB P07858 1/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL648491 0.89 IDO1 (0.44) MAPTNPSR1KDM4ETDP1IDO1
SCHEMBL20878106 0.84 KCNN4 (0.42) GABRA1GABRB2L3MBTL1MAPTNPSR1
Methoxymethane SCHEMBL27728603 0.84 GABRA1 (0.50) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL22711438 0.83 IDO1 (0.40) MAPTNPSR1KDM4ETDP1IDO1
SCHEMBL2792022 0.82 GABRA1 (0.44) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL498530 0.82 GABRA1 (0.44) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL8439589 0.81 ADRA2A (0.47) HPGDIDO1SMN1; SMN2PDK2FFAR1
SCHEMBL18892799 0.81 NPSR1 (0.37) L3MBTL1MAPTNPSR1IDO1CASP1
SCHEMBL25425763 0.81 GABRA1 (0.58) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL36294 0.81 GABRA1 (0.58) GABRA1GABRB2L3MBTL1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-20220409734-A1 ANTIBODY DRUG CONJUGATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-12-29 US disclosed
US-11344549-B2 2-substituted pyrazole amino-4-substituted amino-5-pyrimidine formamide compound, composition, and application thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2022-05-31 US disclosed
US-20210077489-A1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2021-03-18 US disclosed
US-10927096-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2021-02-23 US disclosed
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2021-02-23 US disclosed
US-20210002254-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-01-07 US disclosed
US-20200290991-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2020-09-17 US disclosed
US-7288659-B2 Acylaminothiazole derivatives, their preparation and therapeutic use SANOFI-AVENTIS (FR) 2007-10-30 US disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-20040152736-A1 Thrombin receptor antagonists TOPROL ACQUISITION LLC 2004-08-05 US disclosed
EP-0523697-B1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS (JP) 1997-04-02 EP disclosed
EP-0268878-B1 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS (JP) 1996-01-31 EP disclosed
US-5447901-A Color-developing sheet: base material coated with composition of /a/ multivalent metal-modified salicylic acid resin formed from salicylic acid, a benzyl compound and optional styrene and /b/ analogous resin free of salicylic acid MITSUI TOATSU CHEMICAL, INC. (JP) 1995-09-05 US disclosed
US-5376615-A Pressure sensitive elements containing a salicylic acid resin and a phenolic resin MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-12-27 US disclosed
EP-0523697-A1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 EP disclosed
US-5023366-A Reacted with a benzyl halide, alcohol or ether; for pressure sensitive elements MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-06-11 US disclosed
EP-0268878-A2 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-06-01 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 (9 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-20210077489-A1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF JAK1, JAK3, JAK2 GABRA1 1689/4885GABRB2 1847/4885L3MBTL1 4659/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS GABRA1 4467/4885GABRB2 4301/4885L3MBTL1 1252/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 GABRA1 2882/4885GABRB2 4079/4885L3MBTL1 914/4885
US-20040152736-A1 Thrombin receptor antagonists CNR1, TBXA2R, CNR2 GABRA1 108/4885GABRB2 232/4885L3MBTL1 4370/4885
US-10927096-B2 Ester substituted ion channel blockers and methods for use TRPV1, TRPA1, TRPV2 GABRA1 548/4885GABRB2 331/4885L3MBTL1 4810/4885
US-20210002254-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R GABRA1 194/4885GABRB2 133/4885L3MBTL1 4237/4885
US-20220409734-A1 ANTIBODY DRUG CONJUGATES STING1, CGAS, TBK1 GABRA1 720/4885GABRB2 1257/4885L3MBTL1 4082/4885
US-11344549-B2 2-substituted pyrazole amino-4-substituted amino-5-pyrimidine formamide compound, composition, and application thereof JAK1, JAK3, JAK2 GABRA1 1689/4885GABRB2 1847/4885L3MBTL1 4659/4885
US-20200290991-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPA1, TRPV2 GABRA1 548/4885GABRB2 331/4885L3MBTL1 4810/4885

“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.