SCHEMBL6288848

SCHEMBL6288848

CC1CC(c2ccccc2)OC1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
MAOB P27338 9/20 0.43
CYP19A1 P11511 4/20 0.43
AR P10275 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MAOA P21397 1/20 0.37

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
SCHEMBL18099888 1.00 TSHR (0.43) TSHRMAOBCYP19A1ARKDM4E
SCHEMBL5936332 1.00 TSHR (0.43) TSHRMAOBCYP19A1ARKDM4E
SCHEMBL17882107 0.83 MAOB (0.42) TSHRMAOBCYP19A1ARKDM4E
SCHEMBL17860841 0.83 MAPT (0.46) MAOBALDH1A1
SCHEMBL8139136 0.81 MAOB (0.43) MAOB
SCHEMBL9010788 0.80 MAOB (0.44) TSHRMAOBCYP19A1ARKDM4E
SCHEMBL13039624 0.80 TSHR (0.46) TSHRMAOBCYP19A1ARKDM4E
SCHEMBL12679302 0.78 TSHR (0.45) TSHRMAOBCYP19A1ARKDM4E
SCHEMBL3816926 0.77 MAOB (0.47) TSHRMAOBCYP19A1ARKDM4E
SCHEMBL30286124 0.77 TSHR (0.43) TSHRMAOBCYP19A1ARKDM4E

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233889-B1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS SHANGHAI MICURX PHARMACEUTICAL CO LTD (CN) 2022-07-06 EP disclosed
US-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 US disclosed
US-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. 2016-06-30 US disclosed
US-20150259306-A1 DESAZADESFERROTHIOCIN ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES INC (US) 2015-09-17 US disclosed
US-9045440-B2 Desazadesferrothiocin and desazadesferrothiocin polyether analogues as metal chelation agents FERROKIN BIOSCIENCES, INC. (US) 2015-06-02 US disclosed
US-20130053387-A1 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FerroKin BioScience, Inc. (US) 2013-02-28 US disclosed
US-20110275636-A1 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES, INC. (US) 2011-11-10 US disclosed
US-6956055-B2 Substituted γ-lactone compounds as NMDA-antagonists GRUNENTHAL GMBH (DE) 2005-10-18 US disclosed
US-4285868-A LACTONIZATION MOBIL OIL CORPORATION (US) 1981-08-25 US disclosed
US-4175089-A Preparation of gamma-butyrolactones MOBIL OIL CORPORATION (US) 1979-11-20 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 (4 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-20110275636-A1 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS SLC39A14, SLC40A1, FTH1 TSHR 1908/4885MAOB 3310/4885CYP19A1 4507/4885
US-20130053387-A1 DESAZADESFERROTHIOCIN AND DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS SLC39A14, SLC40A1, FTH1 TSHR 1908/4885MAOB 3310/4885CYP19A1 4507/4885
US-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS VIP, AQP1, PEF1 TSHR 4793/4885MAOB 3655/4885CYP19A1 4560/4885
US-20150259306-A1 DESAZADESFERROTHIOCIN ANALOGUES AS METAL CHELATION AGENTS SLC40A1, SLC39A14, HAMP TSHR 1823/4885MAOB 2768/4885CYP19A1 4616/4885

“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.