SCHEMBL905270

SCHEMBL905270

CCOP(=O)(OCC)C(F)(CC)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
PPARD Q03181 2/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
S1PR1 P21453 4/20 0.32
S1PR3 Q99500 4/20 0.32
S1PR2 O95136 3/20 0.32
S1PR5 Q9H228 3/20 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
SCHEMBL1683252 0.91 TSHR (0.32) TSHRPPARDTP53TDP1SMN1; SMN2
SCHEMBL4637563 0.82 PPARD (0.35) TSHRPPARDTP53TDP1SMN1; SMN2
SCHEMBL18048500 0.80 PPARD (0.32) TSHRPPARD
SCHEMBL10590583 0.79 TSHR (0.41) TSHRPPARDTP53TDP1CA12
SCHEMBL1683251 0.78 TSHR (0.37) TSHRPPARDTP53TDP1SMN1; SMN2
SCHEMBL8820544 0.75 TSHR (0.39) TSHRPPARDTP53TDP1SMN1; SMN2
SCHEMBL2079486 0.75 TSHR (0.39) TSHRPPARDTP53TDP1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL3432138 0.75 S1PR1 (0.46) TSHRPPARDS1PR1S1PR3S1PR2
SCHEMBL2987745 0.74 MEN1 (0.30)
SCHEMBL7490235 0.73 TSHR (0.37) TSHRPPARDTP53TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8795884-B2 Nonaqueous secondary battery and electronic device HITACHI MAXELL, LTD. (JP) 2014-08-05 US claimed
US-20110052980-A1 NONAQUEOUS SECONDARY BATTERY AND ELECTRONIC DEVICE MAXELL, LTD. (JP) 2011-03-03 US claimed
EP-0396841-B1 Fluorinated arachidonic acid derivatives MERRELL DOW PHARMA (US) 1994-02-02 EP claimed
US-20230159961-A1 BIOSYNTHESIS OF CHEMICALLY DIVERSIFIED NON-NATURAL TERPENE PRODUCTS BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2023-05-25 US disclosed
US-9580416-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-02-28 US disclosed
EP-2698859-B1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND ELECTRICITY-STORAGE DEVICE USING THE SAME UBE INDUSTRIES (JP) 2016-07-27 EP disclosed
EP-2995615-A1 CYCLOPROPYL-FUSED PYRROLIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND THEIR PHARMACEUTICAL USE AstraZeneca AB (SE) 2016-03-16 EP disclosed
WO-2016004272-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2016-01-07 WO disclosed
US-20160002225-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE SCHRODINGER, LLC 2016-01-07 US disclosed
EP-2272825-B1 Protected amino hydroxy adamantane carboxylic acid and process for its preparation ASTRAZENECA AB (SE) 2015-11-04 EP disclosed
EP-2121555-B1 NEW METHOD FOR PREPARING UNSATURATED FATTY HYDROXY-ACIDS FABRE PIERRE DERMO COSMETIQUE (FR) 2014-03-12 EP disclosed
US-4335248-A ANTITUMOR AGENTS AND IN THE TREATMENT OF ACNE HOFFMANN-LA ROCHE INC. (US) 1982-06-15 US disclosed
US-4321209-A Fluorinated aromatic polyenes HOFFMANN-LA ROCHE INC. (US) 1982-03-23 US disclosed
US-4299995-A ANTITUMOR AGENTS AND TREATMENT OF SKIN DISORDERS HOFFMANN-LA ROCHE INC. (US) 1981-11-10 US disclosed
US-4266073-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1981-05-05 US disclosed
US-4231944-A 9-FURYL SUBSTITUTED, 4- OR 6-FLUORO DERIVATIVES OF RETINOIC ACID, ANTITUMOR AGENTS, TREATMENT OF ACNE HOFFMANN-LA ROCHE INC. (US) 1980-11-04 US disclosed
US-4201727-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-05-06 US disclosed
US-4171318-A 9-(SUBSTITUTED PHENYL), 4 OR 6-FLUORO-RETINOIC ACID DERIVATIVES, ANTITUMOR AND ANTIACNE AGENTS HOFFMANN-LA ROCHE INC. (US) 1979-10-16 US disclosed
US-4169100-A FLUORO AND TRIFLUOROMETHYL SUBSTITUTED 9-(4-ALKOXY-2,3,6-TRIALKYLPHENYL)-2,4,6,8-NONATETRAENOIC ACIDS, ESTERS AND AMIDES, ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1979-09-25 US disclosed
US-4137246-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1979-01-30 US 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-20230159961-A1 BIOSYNTHESIS OF CHEMICALLY DIVERSIFIED NON-NATURAL TERPENE PRODUCTS GGPS1, DHPS, FDPS TSHR 3943/4885PPARD 1180/4885TP53 2052/4885
US-20160002225-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK TSHR 2638/4885PPARD 4383/4885TP53 890/4885

“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.