Sugi Predict

Sugi Predict / Compounds / SCHEMBL14030872

SCHEMBL14030872

SCHEMBL14030872

CCCCCCC1=C(C)C(O)C(C)=C(C)C1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.39
▸ ESR1 P03372 2/20 0.39
▸ ADRA2A P08913 2/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ TACR2 P21452 2/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SHBG P04278 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HSPD1 P10809 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HSPE1 P61604 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ TST Q16762 1/20 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
SCHEMBL17008157 0.66 TSHR (0.57) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL5679424 0.62 TSHR (0.50) PTGS2ESR1ADRA2AADORA3TACR2
Nonane SCHEMBL27486798 0.61 TSHR (0.89) ALDH1A1LMNAHSD17B10
Octane SCHEMBL8988185 0.61 — —
Octane SCHEMBL26632661 0.61 — —
Decane SCHEMBL23174724 0.61 TSHR (0.89) ALDH1A1LMNAHSD17B10
Decane SCHEMBL5084996 0.61 TSHR (0.89) ALDH1A1LMNAHSD17B10
Heptane SCHEMBL8568059 0.61 — —
SCHEMBL23174725 0.61 TSHR (0.89) ALDH1A1LMNAHSD17B10
Heptane SCHEMBL23091221 0.58 TSHR (0.80) ALDH1A1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432305-B2 Tail variants of redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers EDISON PHARMACEUTICALS, INC. (US) 2008-10-07 — — US disclosed
US-7432305-B2 Tail variants of redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers EDISON PHARMACEUTICALS, INC. (US) 2008-10-07 — — US disclosed
US-20070072943-A1 Tail variants of redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers PTC THERAPEUTICS, INC. 2007-03-29 — — US disclosed
US-20070072943-A1 Tail variants of redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers PTC THERAPEUTICS, INC. 2007-03-29 — — 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 (1 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-20070072943-A1 Tail variants of redox-active therapeutics for treatment of mitochondrial diseases and other conditions and modulation of energy biomarkers FH, NDUFAB1, ECHS1 PTGS2 1861/4885ESR1 4047/4885ADRA2A 3627/4885

“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.