SCHEMBL489680

SCHEMBL489680

[CH2]c1ccc(F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
DAO P14920 1/20 0.30

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
SCHEMBL45430 0.79 CES2 (0.53) CES2CES1DAO
SCHEMBL3960570 0.79 CES2 (0.33) CES2CES1
SCHEMBL3975406 0.75 CES2 (0.50) CES2CES1DAO
SCHEMBL11355080 0.75 CES2 (0.50) CES2CES1DAO
Ammonia Solution, Strong SCHEMBL3047305 0.75 CES2 (0.50) CES2CES1DAO
SCHEMBL864150 0.75 ACHE (0.31)
SCHEMBL19474701 0.75 ERN1 (0.37) CES2CES1
SCHEMBL9989503 0.75 TNF (0.31) CES2CES1
SCHEMBL693054 0.75 TNF (0.35)
SCHEMBL188437 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11926758-B2 Polytriazole coating materials for metal substrates SAUDI ARABIAN OIL COMPANY (SA) 2024-03-12 US claimed
US-11814473-B2 Polytriazole copolymer compositions SAUDI ARABIAN OIL COMPANY (SA) 2023-11-14 US claimed
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP claimed
US-20230241597-A1 PLATFORM FOR THE RECOVERY OF TRANSITION METAL CATALYSTS TEXAS TECH UNIVERSITY SYSTEM 2023-08-03 US claimed
EP-4178959-A1 NITROGEN HETEROCYCLIC CYTOKININ DERIVATIVES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND USE THEREOF Univerzita Palackého v Olomouci (CZ) 2023-05-17 EP claimed
US-11643413-B2 9-(2-oxacycloalkyl)-9H-purine-2,6-diamine derivatives and their use for the treatment of skin disorders UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2023-05-09 US claimed
EP-3615535-B1 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS UNIV PALACKEHO (CZ) 2022-06-15 EP claimed
CN-114149396-A Chiral bicyclic gamma-butyrolactone compound and application thereof 山东第一医科大学(山东省医学科学院) 2022-03-08 CN claimed
CN-114085201-A Preparation method of chiral bicyclic gamma-butyrolactone compound 山东第一医科大学(山东省医学科学院) 2022-02-25 CN claimed
US-20220017774-A1 POLYTRIAZOLE COATING MATERIALS FOR METAL SUBSTRATES SAUDI ARABIAN OIL COMPANY (SA) 2022-01-20 US claimed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
WO-2000043368-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
WO-2000042971-A2 NOVEL CATIONIC 2-SULPHONYLAMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
US-5916920-A CONTROLLING NEUROTRANSMITTER RECPETORS; NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY (US) 1999-06-29 US claimed
EP-0774455-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1997-05-21 EP claimed
EP-0498724-B1 Esters of 3-(3,3,3-trifluoro-2-chloropropenyl)-2,2-dimethyl-cyclopropanecarboxylic acid, process for their preparation and their use as pesticides ROUSSEL UCLAF (FR) 1996-05-15 EP claimed
US-5340835-A Insecticides ROUSSEL-UCLAF (FR) 1994-08-23 US claimed
US-5166341-A Selective antagonist of serotonin 3(5-HT3) receptor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1992-11-24 US claimed
EP-0295839-A2 Pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-21 EP claimed
US-4644046-A BLEND OF SILICON CONTAINING POLYAMINE, POLYSILOXANE, AND DIISOCYNATE GROUP TEIJIN LIMITED (JP) 1987-02-17 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-11643413-B2 9-(2-oxacycloalkyl)-9H-purine-2,6-diamine derivatives and their use for the treatment of skin disorders ADORA2A, UNG, P2RY6 CES2 2687/4885CES1 3816/4885DAO 57/4885

“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.