Sugi Predict

Sugi Predict / Compounds / SCHEMBL16067271

SCHEMBL16067271

SCHEMBL16067271

CC1=C(C)C(=O)C(CCCC(=O)O)=C(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 2/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ CDC25B P30305 7/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ CDC25A P30304 6/20 0.39

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
SCHEMBL7320816 0.92 F13A1 (0.47) ALOX15MAPK1HDAC11CDC25BPTPN1
SCHEMBL7320019 0.92 F13A1 (0.47) ALOX15MAPK1HDAC11CDC25BPTPN1
SCHEMBL7322408 0.88 NPSR1 (0.42) ALOX15HDAC3HDAC1HDAC2HDAC8
SCHEMBL1658812 0.84 ALOX15 (0.41) ALOX15MAPK1HDAC3HDAC1HDAC2
SCHEMBL31028514 0.83 NPSR1 (0.45) ALOX15MAPK1HDAC3HDAC1HDAC2
SCHEMBL15519187 0.81 PTPN7 (0.54) ALOX15MAPK1SMN1; SMN2CDC25BCDC25A
SCHEMBL15518829 0.81 ALDH1A1 (0.54) ALOX15CDC25BCDC25ACDC25CLMNA
SCHEMBL7321675 0.80 MAPT (0.64) MAPK1HDAC3HDAC1HDAC2HDAC8
SCHEMBL6700977 0.80 HSD17B10 (0.51) MAPK1HDAC3HDAC1HDAC2HDAC8
SCHEMBL1786494 0.79 ALDH1A1 (0.44) ALOX15MAPK1HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970158-B1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS BIOELECTRON TECH CORP (US) 2019-02-20 — — EP disclosed
US-10189830-B2 Alkyl-heteroaryl substituted quinone derivatives for treatment of oxidative stress disorders BIOELECTRON TECHNOLOGY CORPORATION (US) 2019-01-29 — — US disclosed
US-20160024085-A1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. 2016-01-28 — — US disclosed
US-20160024085-A1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. 2016-01-28 — — US disclosed
WO-2014145116-A2 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS EDISON PHARMACEUTICALS, INC. (US) 2014-09-18 — — 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 (2 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-20160024085-A1 ALKYL-HETEROARYL SUBSTITUTED QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS NQO1, COQ8A, NDUFAB1 ALOX15 290/4885MAPK1 2690/4885HDAC3 770/4885
US-10189830-B2 Alkyl-heteroaryl substituted quinone derivatives for treatment of oxidative stress disorders NQO1, COQ8A, NDUFAB1 ALOX15 290/4885MAPK1 2690/4885HDAC3 770/4885

“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.