SCHEMBL5377017

SCHEMBL5377017

CC(=O)OC(C(C)C)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
TDP1 Q9NUW8 3/20 0.44
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
GALR3 O60755 1/20 0.41
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41
ALDH1A1 P00352 4/20 0.37
TRPV1 Q8NER1 1/20 0.34
ALOX15 P16050 1/20 0.33
CTSK P43235 1/20 0.33
LMNA P02545 3/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH1 P35367 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 2/20 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
SCHEMBL13773167 0.94 TSHR (0.58) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL15430642 0.86 TSHR (0.50) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL23311313 0.84 TSHR (0.48) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL421627 0.84 TSHR (0.48) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL14141296 0.82 TSHR (0.46) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL19359816 0.80 TSHR (0.44) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL421679 0.80 TSHR (0.44) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL12967091 0.80 TSHR (0.44) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL24186630 0.80 TSHR (0.44) TSHRTDP1CHRM2CHRM4CHRM1
SCHEMBL26636414 0.78 TSHR (0.42) TSHRTDP1CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101948713-A Oenothera gracilis plant essential oil TROPICAL CROPS GENETIC RESOURCES INST CHINESE ACADEMY OF TROPICAL AGRICULTURAL SCIENCES 2011-01-19 CN claimed
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
CN-109952360-B Quantum dot dispersion, self-luminous photosensitive resin composition, color filter manufactured using the same, and image display device 东友精细化工有限公司 2022-03-22 CN 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-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-09-21 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
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-7169899-B1 Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents TRANZYME PHARMA INC. (CA) 2007-01-30 US disclosed
US-7169899-B1 Cyclic lactams comprising three amino acids and a tether chain to control the overall shape of the macromolecule; beta-turn mimetics to explore conformationally restricted structures; proteolytic enzyme resistance (nonhydrolyzing); cell penetration; anticoagulants; anticarcinogenic agents TRANZYME PHARMA INC. (CA) 2007-01-30 US disclosed
US-7157411-B2 Odor neutralizers SYMRISE GMBH & CO. KG (DE) 2007-01-02 US disclosed
US-20030068295-A1 Odor neutralizers SYMRISE AG (DE) 2003-04-10 US disclosed
EP-1239890-A2 ODOR NEUTRALIZERS HAARMANN & REIMER GMBH (DE) 2002-09-18 EP disclosed
WO-2001043784-A2 ODOR NEUTRALIZERS HAARMANN & REIMER GMBH (DE) 2001-06-21 WO 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 (11 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 TSHR 1449/4885TDP1 1840/4885CHRM2 2732/4885
US-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L TSHR 4488/4885TDP1 4453/4885CHRM2 4012/4885
US-10011569-B2 Process for synthesizing oxidized lactam compounds COASY, DHPS, OXA1L TSHR 4488/4885TDP1 4453/4885CHRM2 4012/4885
US-20030068295-A1 Odor neutralizers OXER1, OR51E2, OR10J3 TSHR 1775/4885TDP1 3777/4885CHRM2 352/4885
US-20180162816-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE TSHR 1280/4885TDP1 2311/4885CHRM2 1756/4885
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE TSHR 1280/4885TDP1 2311/4885CHRM2 1756/4885
US-10040787-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 TSHR 3738/4885TDP1 3433/4885CHRM2 2676/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE TSHR 1280/4885TDP1 2311/4885CHRM2 1756/4885
US-20100120740-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 TSHR 2891/4885TDP1 1345/4885CHRM2 1780/4885
US-20230151024-A1 STING AGONISTIC COMPOUND STING1, CGAS, TLR1 TSHR 1797/4885TDP1 540/4885CHRM2 789/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 TSHR 634/4885TDP1 4746/4885CHRM2 582/4885

“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.