SCHEMBL20554171

SCHEMBL20554171

CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1OP(=O)(OC1CCCCC1)OC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
PDE10A Q9Y233 1/20 0.38
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL19643364 0.83 NPSR1 (0.40) GPR84NPSR1MEN1KMT2ALMNA
SCHEMBL29933139 0.80 NPSR1 (0.43) GPR84NPSR1MEN1KMT2ALMNA
SCHEMBL7772943 0.78 NPSR1 (0.42) GPR84NPSR1MEN1KMT2ALMNA
SCHEMBL20718751 0.75 CA1 (0.40) GPR84CA1CA2CA7CA9
SCHEMBL19904756 0.72 TSHR (0.46) GPR84NPSR1MEN1KMT2ALMNA
SCHEMBL27552841 0.72 NPSR1 (0.38) GPR84NPSR1MEN1KMT2ALMNA
SCHEMBL3238053 0.72 NPSR1 (0.50) NPSR1MEN1KMT2ALMNAGAA
Biphenyl SCHEMBL28404661 0.70 CA1 (0.40) MEN1KMT2ACA1CA2CA7
SCHEMBL6845758 0.69 CA1 (0.39) CA1CA2CA7CA9PDE10A
SCHEMBL16771 0.69 CA1 (0.39) NPSR1MEN1KMT2ALMNACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117813302-A Substituted tetrahydrofuran-2-carboxamides as sodium channel modulators 沃泰克斯药物股份有限公司 2024-04-02 CN disclosed
US-11332455-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-05-17 US disclosed
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-12-09 US disclosed
US-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-05-27 US disclosed
US-10787428-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2020-09-29 US disclosed
EP-3712129-A1 ALPHA, BETA-UNSATURATED AMIDE COMPOUND Kyowa Kirin Co., Ltd. (JP) 2020-09-23 EP disclosed
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2019-01-10 US disclosed
EP-3401309-A1 a, ß UNSATURATED AMIDE COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2018-11-14 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 (5 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-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, RXRA GPR84 139/4885NPSR1 270/4885MEN1 2035/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 GPR84 122/4885NPSR1 254/4885MEN1 1930/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 GPR84 113/4885NPSR1 293/4885MEN1 1939/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 GPR84 122/4885NPSR1 254/4885MEN1 1930/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 GPR84 113/4885NPSR1 293/4885MEN1 1939/4885

“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.