SCHEMBL921998

SCHEMBL921998

COc1ccc(CC(=O)O)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.68
ALDH1A1 P00352 4/20 0.63
TSHR P16473 1/20 0.63
NFKB1 P19838 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
CA5A P35218 1/20 0.59
CA2 P00918 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.55
PTGS1 P23219 1/20 0.54
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 2/20 0.51
PPARD Q03181 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SELL P14151 1/20 0.49
SELP P16109 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
CA1 P00915 1/20 0.48

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
SCHEMBL11462528 0.91 MRGPRX4 (0.62) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL4086439 0.86 ALDH1A1 (0.53) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL3616256 0.86 ALDH1A1 (0.53) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL586214 0.86 GAA (0.68) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL30154464 0.86 GAA (0.68) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL27590527 0.85 HSD17B10 (0.57) GAAALDH1A1CA2SMN1; SMN2HSD17B10
SCHEMBL7896877 0.85 ALDH1A1 (0.56) GAAALDH1A1CA2SMN1; SMN2HSD17B10
SCHEMBL153055 0.84 GAA (0.74) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL30049382 0.84 GAA (0.74) GAAALDH1A1TSHRNFKB1TDP1
SCHEMBL23296176 0.84 GAA (0.52) GAAALDH1A1TSHRNFKB1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145906-B1 SEROTONIN RECEPTOR-TARGETING COMPOUNDS UNIV NORTHEASTERN (US) 2023-10-04 EP disclosed
CN-106573872-B 5-hydroxytryptamine receptor targeting compounds and methods 东北大学 2021-07-20 CN disclosed
US-11021435-B2 Serotonin receptor-targeting compounds and methods NORTHEASTERN UNIVERSITY (US) 2021-06-01 US disclosed
CN-106573872-A 5-hydroxytryptamine receptor targeting compounds and methods 东北大学 2017-04-19 CN disclosed
EP-3145906-A1 SEROTONIN RECEPTOR-TARGETING COMPOUNDS AND METHODS Northeastern University (US) 2017-03-29 EP disclosed
US-20170081273-A1 Serotonin Receptor-Targeting Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-23 US disclosed
WO-2015179366-A1 SEROTONIN RECEPTOR-TARGETING COMPOUNDS AND METHODS NORTHEASTERN UNIVERSITY (US) 2015-11-26 WO disclosed
CN-102775381-B Substituted hydrazide compound, and its preparation method, medicinal compositions and application SHANGHAI INST MATERIA MEDICA 2015-05-20 CN disclosed
CN-102775381-A Substituted hydrazide compound, and its preparation method, medicinal compositions and application SHANGHAI INST MATERIA MEDICA 2012-11-14 CN disclosed
US-7872039-B2 N-3-chlorobenzyl-3-amino-1H-indazole-5-carboxamide; 3-aminoindazoles; glucocorticoid-depedent kinase (SGK) inhibitors; SGK-induced diseases; diabetes, obesity, metabolic syndrome (dyslipidaemia), systemic and pulmonary hypertonia, cardiovascular diseases and renal diseases, fibrosis; inflammatory agents MERCK PATENT GESELLSCHAFT (DE) 2011-01-18 US disclosed
EP-0809636-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-12-03 EP disclosed
US-5633272-A Substituted isoxazoles for the treatment of inflammation PHARMACIA & UPJOHN COMPANY LLC 1997-05-27 US disclosed
US-5608093-A ANTIINFLAMMATORY AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
WO-1996025405-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-22 WO disclosed
CN-1124250-A 17-deoxycorticosteroid-21-[O]-carboxylic esters, processes for their preparation and pharmaceuticals containing these compounds HOECHST AG (DE) 1996-06-12 CN disclosed
EP-0708111-A1 17-Desoxy corticosteroid-21-esters, a process for their preparation and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-24 EP disclosed
CN-1108661-A Corticoid 17,21-dicarboxylic esters and corticosteroid 17-carboxylic ester 21-carbonic esters, processes for their preparation and pharmaceuticals containing these compounds HOECHST AG (DE) 1995-09-20 CN disclosed
CN-1105368-A Corticosteroid 17-alkyl carbonate 21-[O]-carboxylic and carbonic esters, processes for their preparation, and pharmaceuticals containing these compounds HOECHST AG (DE) 1995-07-19 CN disclosed
EP-0646593-A1 Corticoid-17,21-dicarboxylic acid ester and corticosteroid-17-carboxylic acid ester-21-carbonic, process for their production and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-05 EP disclosed
EP-0640616-A2 17-Alkylcarbonate, 21-0-carbonic/carboxylic acid esters of corticosteroids, a method for their production and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-01 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-11021435-B2 Serotonin receptor-targeting compounds and methods HTR1A, HTR2C, HTR7 GAA 4506/4885ALDH1A1 2137/4885TSHR 327/4885
US-20170081273-A1 Serotonin Receptor-Targeting Compounds and Methods HTR1A, HTR2C, HTR7 GAA 4506/4885ALDH1A1 2137/4885TSHR 327/4885

“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.