SCHEMBL6836952

SCHEMBL6836952

O=C1CCOc2c(O)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.46
MAOB P27338 3/20 0.46
PSMB5 P28074 1/20 0.41
PARP1 P09874 3/20 0.40
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TYR P14679 1/20 0.37
GRM5 P41594 3/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL5534964 0.81 PSMB5 (0.61) MAOAMAOBPSMB5PARP1MAPT
SCHEMBL1265527 0.78 CYP19A1 (0.46) MAOAMAOBPARP1MAPTLMNA
SCHEMBL31170819 0.78 MAPT (0.43) MAOAMAOBPARP1MAPTALDH1A1
SCHEMBL19744350 0.78 MAPT (0.43) MAOAMAOBPARP1MAPTALDH1A1
SCHEMBL29222703 0.78 MAOB (0.39) MAOAMAOBPARP1MAPTALDH1A1
SCHEMBL3993011 0.78 LMNA (0.44) MAOAMAOBPARP1MAPTALDH1A1
SCHEMBL768960 0.78 MAPT (0.46) MAOAMAOBPARP1MAPTLMNA
SCHEMBL2370234 0.78 MAOB (0.39) MAOAMAOBPARP1MAPTALDH1A1
SCHEMBL6836766 0.77 PARP1 (0.51) MAOAMAOBPARP1MAPTALDH1A1
SCHEMBL15676499 0.76 MAOB (0.38) MAOAMAOBPARP1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 CN disclosed
CN-108430972-B Alpha, beta-unsaturated amide compound 协和麒麟株式会社 2022-12-27 CN disclosed
US-11447471-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-09-20 US 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
CN-110770211-A α unsaturated amide compound 协和麒麟株式会社 2020-02-07 CN 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
US-6756432-B2 POLYBUTADIENE TYPE POLYMER WITH A 1-BENZOPYRAN, A 1-BENZO PYRAN-2-ONE OR A BENZOIN DERIVATIVE; MOLDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-06-29 US disclosed
US-20030153655-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-08-14 US disclosed
US-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 US disclosed
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 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 (7 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 MAOA 3301/4885MAOB 3240/4885PSMB5 1340/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB MAOA 3131/4885MAOB 3184/4885PSMB5 1526/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 MAOA 3332/4885MAOB 3552/4885PSMB5 1573/4885
US-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR MAOA 1062/4885MAOB 757/4885PSMB5 2036/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 MAOA 3585/4885MAOB 3686/4885PSMB5 1383/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 MAOA 3332/4885MAOB 3552/4885PSMB5 1573/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 MAOA 3585/4885MAOB 3686/4885PSMB5 1383/4885

“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.