SCHEMBL744605

SCHEMBL744605

CC(=O)Oc1ccccc1[C]=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.53
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 1/20 0.53
ESR1 P03372 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
HMGB1 P09429 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
GGT1 P19440 1/20 0.53
PTGS1 P23219 1/20 0.53
BLM P54132 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.44
ACHE P22303 1/20 0.43

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
SCHEMBL812108 0.83 MAPK1 (0.57) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL5566305 0.83 ACHE (0.56) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL10697403 0.83 MAPK1 (0.45) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL4589610 0.82 PTGS2 (0.52) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL5473941 0.82 PTGS2 (0.52) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL3844672 0.82 PTGS2 (0.53) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL7049307 0.81 MEN1 (0.50) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL9512109 0.81 PTGS2 (0.50) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL338196 0.80 PTGS2 (0.68) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL29432883 0.80 PTGS2 (0.68) PTGS2KDM4EHSD17B10ALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391828-A1 REGULATORS OF CELL DIVISION TECHNISCHE UNIVERSITAT DRESDEN (DE) 2023-12-07 US claimed
CN-117069645-A Tryptophan and C2 alkylation modification method for tryptophan-containing polypeptide 兰州大学 2023-11-17 CN claimed
US-11813237-B2 Creatine, its derivatives, compositions and methods of use thereof YU RUEY J (US) 2023-11-14 US claimed
EP-4225780-A2 REGULATORS OF CELL DIVISION Technische Universität Dresden (DE) 2023-08-16 EP claimed
WO-2023134732-A1 PREVENTION OR TREATMENT OF CARDIOVASCULAR DISEASES WITH HIGH PENETRATION PRODRUGS OF ASPIRIN AND OTHER NSAIDS TECHFIELDS PHARMA CO., LTD. (CN) 2023-07-20 WO claimed
US-20230218555-A1 CREATINE, ITS DERIVATIVES, COMPOSITIONS AND METHODS OF USE THEREOF YU RUEY J (US) 2023-07-13 US claimed
US-11642328-B2 Creatine, its derivatives, compositions and methods of use thereof YU RUEY J (US) 2023-05-09 US claimed
US-20220401398-A1 CREATINE, ITS DERIVATIVES, COMPOSITIONS AND METHODS OF USE THEREOF YU RUEY J (US) 2022-12-22 US claimed
WO-2022074072-A2 REGULATORS OF CELL DIVISION Technische Universität Dresden (DE) 2022-04-14 WO claimed
WO-2021073038-A1 O-HYDROXYBENZOIC ACID POLYGLYCOL ESTER COMPOUND, AND SYNTHETIC PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 新乡海盈生物科技有限责任公司 2021-04-22 WO claimed
EP-0024282-A1 Benzoyl derivatives, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1981-03-04 EP claimed
EP-0023559-A1 2-(Perhydro-1,4-diazino)-pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 EP claimed
US-4217445-A SKIN DISORDERS FOTOBIO HOLDING AG (CH) 1980-08-12 US claimed
US-4192868-A ANTIINFLAMMATORY, ANALGESIC CIBA-GEIGY CORPORATION (US) 1980-03-11 US claimed
US-4072703-A HUMAN AND VETERINARY MEDICINE CHIMIE & BIOLOGIE (FR) 1978-02-07 US claimed
US-4060617-A Esters of the ophyllinylacetic acid Wulfing, Johann A. (DT) 1977-11-29 US claimed
US-4014997-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1977-03-29 US claimed
US-3988446-A Glycerides with anti-inflammatory properties ABBOTT LABORATORIES (US) 1976-10-26 US claimed
US-3975532-A ANALGESIC ICI UNITED STATES INC. (US) 1976-08-17 US claimed
US-3953596-A 8-Oxa-3-azabicyclo(3.2.1)octane analgesic compositions and method of alleviating pain in animals ICI UNITED STATES INC. (US) 1976-04-27 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20230391828-A1 REGULATORS OF CELL DIVISION PCNA, BOD1L1, MKI67 PTGS2 3273/4885KDM4E 3982/4885HSD17B10 3954/4885

“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.