SCHEMBL6896801

SCHEMBL6896801

COC(=O)OC(C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
CA14 Q9ULX7 2/20 0.34
CA12 O43570 1/20 0.34
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL17371255 1.00 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1TSHRCA14CA12
SCHEMBL222173 0.88 TSHR (0.38) SMN1; SMN2TSHR
SCHEMBL31731379 0.88 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1TSHRCA14CA12
SCHEMBL17847269 0.82 TSHR (0.35) TSHR
SCHEMBL25444961 0.81 SMN1; SMN2 (0.31) SMN1; SMN2TSHR
SCHEMBL1469973 0.80 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1TSHRCA14
SCHEMBL16840155 0.80 TSHR (0.46) ALDH1A1TSHRCA14CA12HCAR2
SCHEMBL16840153 0.80 TSHR (0.46) ALDH1A1TSHRCA14CA12HCAR2
SCHEMBL6896501 0.80 TSHR (0.46) ALDH1A1TSHRCA14CA12HCAR2
SCHEMBL20058580 0.79 SMN1; SMN2 (0.30) SMN1; 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 97 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151024-A1 STING AGONISTIC COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2023-05-18 US disclosed
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2023-05-18 US disclosed
US-20230141284-A1 CANCER THERAPEUTIC METHOD ONO PHARMACEUTICAL CO., LTD. (JP) 2023-05-11 US disclosed
US-10040787-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-08-07 US disclosed
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-17 US disclosed
US-10011569-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-03 US disclosed
US-20180162816-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-06-14 US disclosed
US-9988394-B2 Oxabicycloheptane prodrugs LIXTE BIOTECHNOLOGY INC. (US) 2018-06-05 US disclosed
US-9926336-B2 Beta-lactamase inhibitors VENATORX PHARMACEUTICALS (US) 2018-03-27 US disclosed
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2017-12-07 US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166194-A1 Asenapine Prodrugs ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease ALKERMES, INC. (US) 2011-07-07 US disclosed
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 US disclosed
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 US disclosed
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. 2011-01-20 US disclosed
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. 2011-01-06 US disclosed
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES, INC. 2011-01-06 US disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 US disclosed
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-05-13 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 (15 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-20230141284-A1 CANCER THERAPEUTIC METHOD STING1, CGAS, IFNAR1 SMN1; SMN2 4420/4885ALDH1A1 3843/4885TSHR 1449/4885
US-10011569-B2 Process for synthesizing oxidized lactam compounds COASY, DHPS, OXA1L SMN1; SMN2 3665/4885ALDH1A1 113/4885TSHR 4488/4885
US-20180162816-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE SMN1; SMN2 673/4885ALDH1A1 599/4885TSHR 1280/4885
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE SMN1; SMN2 673/4885ALDH1A1 599/4885TSHR 1280/4885
US-10040787-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 SMN1; SMN2 606/4885ALDH1A1 1082/4885TSHR 3738/4885
US-20110166194-A1 Asenapine Prodrugs GRIN1, SCN1B, GRIN2B SMN1; SMN2 1222/4885ALDH1A1 432/4885TSHR 520/4885
US-20110166156-A1 Prodrugs for the Treatment of Schizophrenia and Bipolar Disease SLC1A2, BDNF, MAOB SMN1; SMN2 1614/4885ALDH1A1 307/4885TSHR 1502/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE SMN1; SMN2 673/4885ALDH1A1 599/4885TSHR 1280/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B SMN1; SMN2 1836/4885ALDH1A1 760/4885TSHR 3059/4885
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 SMN1; SMN2 4304/4885ALDH1A1 1564/4885TSHR 3454/4885
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 SMN1; SMN2 1880/4885ALDH1A1 350/4885TSHR 2891/4885
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 SMN1; SMN2 1880/4885ALDH1A1 350/4885TSHR 2891/4885
US-20230151024-A1 STING AGONISTIC COMPOUND STING1, CGAS, TLR1 SMN1; SMN2 2673/4885ALDH1A1 3607/4885TSHR 1797/4885
US-20110003828-A1 PRODRUGS OF NH-ACIDIC COMPOUNDS SI, NAAA, NIT2 SMN1; SMN2 606/4885ALDH1A1 1082/4885TSHR 3738/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE SMN1; SMN2 673/4885ALDH1A1 599/4885TSHR 1280/4885

“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.