Sugi Predict

Sugi Predict / Compounds / SCHEMBL21187227

SCHEMBL21187227

SCHEMBL21187227

O=C1COCc2cc3ccccc3cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CASP1 P29466 2/20 0.40
▸ CASP7 P55210 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ MPI P34949 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MAOB P27338 6/20 0.35
▸ MAOA P21397 5/20 0.35
▸ ALOX5 P09917 2/20 0.35
▸ GSTP1 P09211 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34

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
SCHEMBL21187278 0.81 CYP2A6 (0.37) ALDH1A1HPGDMEN1KMT2AMAOB
SCHEMBL3221430 0.79 MEN1 (0.46) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL1798076 0.76 MAOA (0.57) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL135207 0.75 MAOA (0.56) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL29452852 0.75 MAOA (0.56) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL31643666 0.74 MAOA (0.59) ALDH1A1HPGDHSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL30018618 0.74 MAOA (0.55) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL7586133 0.74 MAOA (0.59) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL6940637 0.74 CASP1 (0.52) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL30402712 0.74 CASP1 (0.52) ALDH1A1HPGDHSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322692-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF USA Elixiria Biotech Inc. (US) 2023-10-12 — — US disclosed
US-20230322692-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF USA Elixiria Biotech Inc. (US) 2023-10-12 — — US disclosed
US-11691953-B2 Compound as PPAR agonist and application thereof USA Elixiria Biotech Inc. 2023-07-04 — — US disclosed
US-11691953-B2 Compound as PPAR agonist and application thereof USA Elixiria Biotech Inc. 2023-07-04 — — US disclosed
US-20200331868-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF USA Elixiria Biotech Inc. 2020-10-22 — — US disclosed
WO-2019141229-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF 上海怡立舍生物技术有限公司 2019-07-25 — — 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 (3 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-11691953-B2 Compound as PPAR agonist and application thereof PPARA, PPARG, PPARD ALDH1A1 1114/4885HPGD 356/4885HSD17B10 536/4885
US-20200331868-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF PPARA, PPARG, PPARD ALDH1A1 1114/4885HPGD 356/4885HSD17B10 536/4885
US-20230322692-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF PPARA, PPARG, PPARD ALDH1A1 1114/4885HPGD 356/4885HSD17B10 536/4885

“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.