SCHEMBL449783

SCHEMBL449783

C=CC(=O)OC(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
THRB P10828 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL8601132 1.00 TSHR (0.31) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL3125065 1.00 TSHR (0.31) TSHRTHRBALDH1A1TP53CYP3A4
SCHEMBL6847445 0.98 TSHR (0.32) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL4446249 0.89
SCHEMBL4446616 0.89
SCHEMBL11401308 0.87 TSHR (0.33) TSHR
SCHEMBL1532964 0.87 TSHR (0.38) TSHR
SCHEMBL11862823 0.86 THRB (0.32) THRB
SCHEMBL18317983 0.84 ALDH1A1 (0.30) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL20538783 0.84 ALDH1A1 (0.31) TSHRALDH1A1CYP3A4

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
US-11045833-B2 Task specific ionic liquid-impregnated polymeric surface coatings for antibacterial, antifouling, and metal scavenging activity MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-06-29 US claimed
EP-3308613-B1 METHOD FOR FORMING A COATING ON AN ELECTRONIC OR ELECTRICAL DEVICE P2I LTD (GB) 2020-08-05 EP claimed
EP-3583211-B1 METHOD FOR THE SYNTHESIS OF DNA CONJUGATES BY MICELLAR CATALYSIS UNIV DORTMUND TECH (DE) 2024-04-10 EP disclosed
EP-4350031-A1 PLASMA POLYMERISATION COATING, PREPARATION METHOD, AND DEVICE Jiangsu Favored Nanotechnology Co., Ltd. (CN) 2024-04-10 EP disclosed
US-11725071-B2 Copolymers of halogenated olefins and halogenated co-monomers ARKEMA INC. (US) 2023-08-15 US disclosed
US-11407993-B2 Method for the synthesis of DNA conjugates by micellar catalysis TECHNISCHE UNIVERSITAET DORTMUND (DE) 2022-08-09 US disclosed
US-20220002712-A1 METHOD FOR THE SYNTHESIS OF DNA CONJUGATES BY MICELLAR CATALYSIS TECHNISCHE UNIVERSITÄT DORTMUND (DE) 2022-01-06 US disclosed
US-20200299433-A1 COPOLYMERS OF HALOGENATED OLEFINS AND HALOGENATED CO-MONOMERS ARKEMA INC. 2020-09-24 US disclosed
US-10755942-B2 Method of forming topcoat for patterning MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-08-25 US disclosed
US-10010502-B2 Device that delivers a sustained low-dose of a myopia-suppressing drug, while preserving pupillary function and accommodation AMORPHEX THERAPEUTICS LLC (US) 2018-07-03 US disclosed
US-20180122648-A1 Method of Forming Topcoat for Patterning NATIONAL SCIENCE FOUNDATION 2018-05-03 US disclosed
US-5194556-A Macromolecular monomer derived from polysiloxane copolymerized with fluoroacrylate CIBA-GEIGY CORPORATION (US) 1993-03-16 US disclosed
WO-1993004132-A1 LOW LOSS HIGH NUMERICAL APERTURE CLADDED OPTICAL FIBERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-03-04 WO disclosed
EP-0494842-A2 Rigid contact lenses with improved oxygen permeability CIBA-GEIGY AG (CH) 1992-07-15 EP disclosed
EP-0493320-A2 Fluorine and/or Silicone containing poly(alkylene-oxide)-block copolymer hydrogels and contact lenses thereof CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed
US-5115056-A FLUORINE AND/OR SILICONE CONTAINING POLY(ALKYLENE-OXIDE)-BLOCK COPOLYMERS AND CONTACT LENSES THEREOF CIBA-GEIGY CORPORATION (US) 1992-05-19 US disclosed
US-5079319-A Contact Lenses CIBA-GEIGY CORPORATION (US) 1992-01-07 US disclosed
EP-0425436-A2 Reactive silicone and/or fluorine containing hydrophilic prepolymers and polymers thereof CIBA-GEIGY AG (CH) 1991-05-02 EP disclosed
US-5010141-A Heat- or UV-curable acrylic resins; coatings; films; biocompatible, water-swelling, oxygen-permeable contact lenses CIBA-GEIGY CORPORATION (US) 1991-04-23 US disclosed
EP-0406161-A2 Fluorine and/or silicone containing poly(alkylene-oxide)-block copolymers and contact lenses thereof CIBA-GEIGY AG (CH) 1991-01-02 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 (2 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-10010502-B2 Device that delivers a sustained low-dose of a myopia-suppressing drug, while preserving pupillary function and accommodation MYOC, STRA6, MYOF TSHR 1045/4885THRB 2774/4885ALDH1A1 1432/4885
US-11045833-B2 Task specific ionic liquid-impregnated polymeric surface coatings for antibacterial, antifouling, and metal scavenging activity LPO, SOD1, ICMT TSHR 2751/4885THRB 3669/4885ALDH1A1 1163/4885

“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.