SCHEMBL21187251

SCHEMBL21187251

CCc1ccc(CCCc2cccc(C[C@@H]3NC(=O)CN3C)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.36
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5 P09917 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32

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
SCHEMBL22555679 1.00 OPRK1 (0.36) OPRK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL30514796 1.00 OPRK1 (0.36) OPRK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL21187254 0.86 SIGMAR1 (0.33) ALDH1A1SIGMAR1HTR2A
SCHEMBL21176973 0.79 MEN1 (0.33) HDAC6LMNASMN1; SMN2ALOX5MEN1
SCHEMBL29452911 0.79 MEN1 (0.33) HDAC6LMNASMN1; SMN2ALOX5MEN1
SCHEMBL30514798 0.79 MEN1 (0.33) HDAC6LMNASMN1; SMN2ALOX5MEN1
SCHEMBL21177130 0.79 MEN1 (0.33) HDAC6LMNASMN1; SMN2ALOX5MEN1
SCHEMBL29452980 0.77 BCHE (0.40) LMNASMN1; SMN2ALOX5SIGMAR1
SCHEMBL21177006 0.77 BCHE (0.40) LMNASMN1; SMN2ALOX5SIGMAR1
SCHEMBL21176974 0.76 GPR84 (0.34) OPRK1HDAC8ALOX5GPR84HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200331868-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF USA Elixiria Biotech Inc. 2020-10-22 US claimed
US-12545653-B2 Compound as PPAR agonist and application thereof USA Elixiria Biotech Inc. (US) 2026-02-10 US disclosed
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-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-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
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 (4 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-12545653-B2 Compound as PPAR agonist and application thereof PPARA, PPARD, PPARG OPRK1 498/4885HDAC3 406/4885HDAC4 974/4885
US-11691953-B2 Compound as PPAR agonist and application thereof PPARA, PPARG, PPARD OPRK1 719/4885HDAC3 592/4885HDAC4 1144/4885
US-20200331868-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF PPARA, PPARG, PPARD OPRK1 719/4885HDAC3 592/4885HDAC4 1144/4885
US-20230322692-A1 COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF PPARA, PPARG, PPARD OPRK1 719/4885HDAC3 592/4885HDAC4 1144/4885

“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.