SCHEMBL1590219

SCHEMBL1590219

CCC(CC)(C(=O)O)C(=O)Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
TSHR P16473 4/20 0.33
TP53 P04637 2/20 0.33
FFAR3 O14843 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL551928 0.85 TSHR (0.38) ALDH1A1TSHRTP53FFAR3
SCHEMBL51201 0.82 FFAR3 (0.41) ALDH1A1TSHRTP53FFAR3GRM2
Carbon Tetrachloride SCHEMBL10421671 0.80 ALDH1A1 (0.42) ALDH1A1TSHRTP53FFAR3GRM2
SCHEMBL4382923 0.79 FFAR3 (0.39) ALDH1A1TSHRTP53FFAR3GRM2
Hydrochloric Acid SCHEMBL8053454 0.79 FFAR3 (0.39) ALDH1A1TSHRTP53FFAR3GRM2
SCHEMBL3673385 0.79 ALDH1A1 (0.39) ALDH1A1TSHRTP53FFAR3GRM2
SCHEMBL28746064 0.79 FFAR3 (0.39) ALDH1A1TSHRTP53FFAR3GRM2
SCHEMBL104624 0.79 FFAR3 (0.39) ALDH1A1TSHRTP53FFAR3GRM2
SCHEMBL9489101 0.79 FFAR3 (0.39) ALDH1A1TSHRTP53FFAR3GRM2
SCHEMBL17818653 0.79 FFAR3 (0.39) ALDH1A1TSHRTP53FFAR3GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6219987-A None JP disclosed
US-9944967-B2 Methods for the site-selective introduction of halogen into natural products THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-17 US disclosed
US-20160201095-A1 METHODS FOR THE SITE-SELECTIVE INTRODUCTION OF HALOGEN INTO NATURAL PRODUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-07-14 US disclosed
WO-2015026944-A1 METHODS FOR THE SITE-SELECTIVE INTRODUCTION OF HALOGEN INTO NATURAL PRODUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-26 WO disclosed
US-20130078218-A1 HEPATITIS C THERAPIES BIOCRYST PHARMACEUTICALS, INC. 2013-03-28 US disclosed
EP-2537520-A1 Hepatics C therapies Biocryst Pharmaceuticals, Inc. (US) 2012-12-26 EP disclosed
US-8252833-B2 Benzo (f) isoindol-2-ylphenyl acetic acid derivatives as EP4 receptor agonists GLAXO GROUP LIMITED (GB) 2012-08-28 US disclosed
EP-1979317-B1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2012-08-22 EP disclosed
EP-1979316-B1 BENZO (F) ISOINDOL-2-YLPHENYL ACETIC ACID DERIVATIVES AS EP4 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-07-11 EP disclosed
US-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-5194446-A Antiarthritic agents A. H. ROBINS COMPANY, INCORPORATED (US) 1993-03-16 US disclosed
US-5025031-A Aryl and aryloxyalkyl sulfamate esters useful as anticonvulsants A. H. ROBINS CO., INC. (US) 1991-06-18 US disclosed
EP-0034951-B1 PHOTOGRAPHIC EMULSIONS AND ELEMENTS CONTAINING BLOCKED 5-PYRAZOLONE MAGENTA DYE-FORMING COUPLERS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1986-02-05 EP disclosed
US-4545810-A Herbicidal and plant growth regulant diphenylpyridazinones SDS BIOTECH CORPORATION (US) 1985-10-08 US disclosed
WO-1982000402-A1 HERBICIDAL AND PLANT GROWTH REGULANT DIPHENYLPYRIDAZINONES DIAMOND SHAMROCK CORP (US) 1982-02-18 WO disclosed
EP-0046069-A1 Herbicidal and plant growth regulant diphenylpyridazinones DIAMOND SHAMROCK CORPORATION (US) 1982-02-17 EP disclosed
US-4310618-A Silver halide photographic material and process utilizing blocked dye-forming couplers EASTMAN KODAK COMPANY (US) 1982-01-12 US disclosed
US-4283472-A HAVING GOOD STORAGE STABILITY AND REACTIVITY EASTMAN KODAK COMPANY (US) 1981-08-11 US disclosed
US-4168371-A Process for making lignin gels in bead form WESTVACO CORPORATION (US) 1979-09-18 US disclosed
US-4131573-A CROSSLINKING WESTVACO CORPORATION (US) 1978-12-26 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-20130078218-A1 HEPATITIS C THERAPIES HAVCR2, FABP1, LIPC ALDH1A1 435/4885TSHR 4341/4885TP53 1221/4885
US-20160201095-A1 METHODS FOR THE SITE-SELECTIVE INTRODUCTION OF HALOGEN INTO NATURAL PRODUCTS HDHD5, COASY, DHPS ALDH1A1 649/4885TSHR 3104/4885TP53 1748/4885

“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.