SCHEMBL417782

SCHEMBL417782

CC(C)(C)OC(=O)CCCCl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
TSHR P16473 2/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
STING1 Q86WV6 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2D6 P10635 1/20 0.33
FAAH O00519 1/20 0.33
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
DGAT1 O75907 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4576643 0.93 EPHX2 (0.41) EPHX2TSHRHDAC8HDAC1HDAC2
SCHEMBL28898948 0.91 EPHX2 (0.43) EPHX2TSHRHDAC8HDAC1HDAC2
SCHEMBL1410283 0.86 HDAC6 (0.37) EPHX2TSHRHDAC8HDAC1HDAC2
SCHEMBL134923 0.85 EPHX2 (0.46) EPHX2TSHRHDAC8HDAC1HDAC2
SCHEMBL1639757 0.85 TSHR (0.50) EPHX2TSHRHDAC8HDAC1HDAC2
SCHEMBL28792442 0.84 EPHX2 (0.35) EPHX2TSHRHDAC8HDAC1HDAC2
SCHEMBL14482719 0.83 EPHX2 (0.49) EPHX2TSHRHDAC8HDAC1HDAC2
SCHEMBL3914424 0.83 EPHX2 (0.49) EPHX2TSHRHDAC8HDAC1HDAC2
Hydrochloric Acid SCHEMBL7239543 0.83 TSHR (0.48) EPHX2TSHRHDAC8HDAC1HDAC2
SCHEMBL3251209 0.83 EPHX2 (0.49) EPHX2TSHRHDAC8HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112384493-A Process for the preparation of fused tricyclic gamma-amino acid derivatives and intermediates 四川海思科制药有限公司 2021-02-19 CN claimed
WO-2025126794-A1 METHOD FOR PRODUCING POLYCARBOXYLIC ACID ESTER COMPOUND 本州化学工業株式会社 2025-06-19 WO disclosed
WO-2025126793-A1 METHOD FOR PRODUCING POLYCARBOXYLIC ACID ESTER COMPOUND 本州化学工業株式会社 2025-06-19 WO disclosed
US-12037641-B2 Modified nucleotide reagents PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2024-07-16 US disclosed
US-11958802-B2 Migration-resistant photopolymerization sensitizer KAWASAKI KASEI CHEMICALS LTD. (JP) 2024-04-16 US disclosed
US-11833229-B2 Labeling precursors with squaric acid coupling SCV SPEZIAL-CHEMIKALIEN-VERTRIEBS GMBH (DE) 2023-12-05 US disclosed
US-20230151017-A1 THERAPEUTIC AGENTS TARGETING GPR35 PROMETHEUS BIOSCIENCES, INC. 2023-05-18 US disclosed
US-20220106254-A1 MIGRATION-RESISTANT PHOTOPOLYMERIZATION SENSITIZER KAWASAKI KASEI CHEMICALS LTD. (JP) 2022-04-07 US disclosed
CN-113166036-A Photopolymerisable sensitizers having migration resistance 川崎化成工业株式会社 2021-07-23 CN disclosed
WO-2020209209-A1 RADICAL PHOTOCURING OXYGEN INHIBITION REDUCER, RADICAL PHOTOPOLYMERIZABLE COMPOSITION CONTAINING RADICAL PHOTOCURING OXYGEN INHIBITION REDUCER, COATING CONTAINING RADICAL PHOTOCURING OXYGEN INHIBITION REDUCER, AND METHOD FOR CURING SAME 川崎化成工業株式会社 2020-10-15 WO disclosed
US-6030746-A CHEMICALLY AMPLIFIED POSITIVE RESIST COMPRISES A ORGANIC SOLVENT, AN ALKALI SOLUBLE RESIN, A PHOTOACID GENERATOR AND A DISSOLUTION RATE REGULATOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-02-29 US disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 WO disclosed
EP-0854869-A1 SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION ELI LILLY AND COMPANY (US) 1998-07-29 EP disclosed
WO-1997011940-A1 SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION ELI LILLY AND COMPANY (US) 1997-04-03 WO disclosed
US-5532171-A PHENOTHIAZINE DYES FOR PHOTODYNAMIC THERAPY OF CANCER OR IMMUNOASSAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed
US-5344928-A Phenothiazine compounds for cancer treatment or immunoassay using chemiluminescence TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-09-06 US disclosed
EP-0510668-A2 Phenothiazine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-28 EP disclosed
EP-0055562-B1 CEPHALOSPORIN DERIVATIVES ICI PHARMA (FR) 1986-02-12 EP disclosed
US-4492692-A BACTERICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-08 US disclosed
EP-0055562-A2 Cephalosporin derivatives ICI PHARMA (FR) 1982-07-07 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 (5 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-12037641-B2 Modified nucleotide reagents POLL, POLN, POLM EPHX2 3971/4885TSHR 3276/4885HDAC8 4228/4885
US-20230151017-A1 THERAPEUTIC AGENTS TARGETING GPR35 GPR35, GPR68, GPR65 EPHX2 3622/4885TSHR 1743/4885HDAC8 660/4885
US-11958802-B2 Migration-resistant photopolymerization sensitizer F12, F10, PCNA EPHX2 1534/4885TSHR 2947/4885HDAC8 1396/4885
US-20220106254-A1 MIGRATION-RESISTANT PHOTOPOLYMERIZATION SENSITIZER F12, F10, PCNA EPHX2 1534/4885TSHR 2947/4885HDAC8 1396/4885
US-11833229-B2 Labeling precursors with squaric acid coupling SCLY, SRRT, CS EPHX2 4573/4885TSHR 149/4885HDAC8 4106/4885

“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.