Sugi Predict

Sugi Predict / Compounds / SCHEMBL840994

SCHEMBL840994

SCHEMBL840994

Cc1coc(C(C)C)cc1=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 6/20 0.37
▸ POR P16435 6/20 0.37
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RNASEH1 O60930 1/20 0.31
▸ GPR55 Q9Y2T6 1/20 0.31
▸ ALDH2 P05091 1/20 0.31
▸ DAO P14920 1/20 0.30
▸ TYR P14679 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
SCHEMBL25667925 0.83 NQO1 (0.39) NQO1PORKDM4EALDH1A1TYR
SCHEMBL10032702 0.76 TYR (0.51) KDM4EALDH1A1DAOTYR
SCHEMBL9372906 0.74 — —
SCHEMBL25667923 0.74 NQO1 (0.33) NQO1PORALDH1A1
SCHEMBL791667 0.73 — —
SCHEMBL5991390 0.70 — —
SCHEMBL10032704 0.70 KDM4E (0.42) NQO1PORKDM4EALDH1A1
SCHEMBL9999337 0.67 — —
SCHEMBL10197303 0.67 ALOX15 (0.38) NQO1PORKDM4EALDH1A1ALDH2
SCHEMBL12090870 0.67 TYR (0.41) NQO1PORKDM4EALDH1A1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278952-A1 Compounds Useful for Treating Liver Diseases ABIONYX PHARMA SA (FR) 2023-09-07 — — US disclosed
US-11737995-B2 Functionalized long-chain hydrocarbon mono- and di-carboxylic acids and derivatives thereof, and their use for the prevention or treatment of disease ESPERVITA THERAPEUTICS, INC. (US) 2023-08-29 — — US disclosed
US-11730712-B2 Functionalized long-chain hydrocarbon mono- and di-carboxylic acids and derivatives thereof, and their use for the prevention or treatment of disease ESPERVITA THERAPEUTICS, INC. (US) 2023-08-22 — — US disclosed
US-9725442-B2 Heterocyclic derivative having PGD2 receptor antagonist activity SHIONOGI & CO., LTD. (JP) 2017-08-08 — — US disclosed
US-9440938-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2016-09-13 — — US disclosed
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2015-06-11 — — US disclosed
US-20140275074-A1 HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-09-18 — — US disclosed
US-8623903-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2014-01-07 — — US disclosed
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA (JP) 2012-06-07 — — US disclosed
US-8143285-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-27 — — US disclosed
US-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA 2011-02-03 — — US disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 — — US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 — — 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 (8 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-20140275074-A1 HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY PTGDR, PTGDR2, PTGER4 NQO1 544/4885POR 319/4885KDM4E 1929/4885
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, PTGDR2, CNR2 NQO1 1466/4885POR 1158/4885KDM4E 2626/4885
US-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, HRH2, PTGDR2 NQO1 2175/4885POR 849/4885KDM4E 1882/4885
US-11737995-B2 Functionalized long-chain hydrocarbon mono- and di-carboxylic acids and derivatives thereof, and their use for the prevention or treatment of disease AHR, PKD1, CFTR NQO1 1199/4885POR 1091/4885KDM4E 1897/4885
US-20230278952-A1 Compounds Useful for Treating Liver Diseases SLC10A1, FABP1, CPT1A NQO1 127/4885POR 418/4885KDM4E 1020/4885
US-11730712-B2 Functionalized long-chain hydrocarbon mono- and di-carboxylic acids and derivatives thereof, and their use for the prevention or treatment of disease CPT1A, PPARG, PC NQO1 411/4885POR 381/4885KDM4E 2906/4885
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 NQO1 6/4885POR 1849/4885KDM4E 2158/4885
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, CYSLTR1, CYSLTR2 NQO1 1783/4885POR 869/4885KDM4E 2154/4885

“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.