SCHEMBL1535982

SCHEMBL1535982

C=C1C(=O)O[C@@H]2/C=C(\CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC/C=C(\C)CC[C@@H]12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS2R46 P59540 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ PKM P14618 2/20 0.53
▸ RECQL P46063 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ TERT O14746 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ TP53 P04637 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ STAT6 P42226 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36

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
Costunolide SCHEMBL16369044 0.72 TAS2R46 (1.00) TAS2R46MEN1KMT2APKMRECQL
Costunolide SCHEMBL92714 0.72 TAS2R46 (1.00) TAS2R46MEN1KMT2APKMRECQL
SCHEMBL16028497 0.71 CYP19A1 (0.53) PKMALDH1A1NLRP3ACHEPTPN1
SCHEMBL31487118 0.69 PKM (0.74) TAS2R46MEN1KMT2APKMRECQL
Costunolide SCHEMBL4091605 0.68 TAS2R46 (0.85) TAS2R46MEN1KMT2APKMRECQL
SCHEMBL1014402 0.66 ACHE (0.35) MEN1KMT2AALDH1A1ACHEPTPN1
Lobohedleolide SCHEMBL17405134 0.66 TAS2R46 (0.80) TAS2R46MEN1KMT2APKMRECQL
SCHEMBL22657931 0.66 ALDH1A1 (0.51) ALDH1A1LMNAACHESLC5A2
SCHEMBL9791430 0.66 ALDH1A1 (0.51) ALDH1A1LMNAACHESLC5A2
SCHEMBL10307302 0.65 TAS2R46 (0.67) TAS2R46MEN1KMT2APKMRECQL

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
CN-103110684-A Soft capsule having assistant protective effect on gastric mucosa and preparation method thereof GANSU CHUANG XING BIOENGINEERING CO LTD 2013-05-22 — — CN disclosed
US-8426370-B2 Diaryl hepatonoid-based compounds and use thereof RNL BIO CO., LTD. (KR) 2013-04-23 — — US disclosed
EP-1610623-B1 METHODOLOGIES FOR IMPROVING THE QUALITY OF MEAT, HEALTH STATUS OF ANIMALS AND IMPACT ON ENVIRONMENT UNIV AARHUS (DK) 2011-11-23 — — EP disclosed
US-20110124740-A1 NOVEL DIARYL HEPATONOID-BASED COMPOUNDS AND USE THEREOF RNL BIO CO., LTD. (KR) 2011-05-26 — — US disclosed
US-20110105738-A1 DIARYL HEPATONOID-BASED COMPOUNDS USEFUL AS VIRUS INHIBITORS RNL BIO CO., LTD. (KR) 2011-05-05 — — US disclosed
US-20110098239-A1 NOVEL DIARYL HEPATONOID-BASED COMPOUNDS AND USE THEREOF RNL BIO CO., LTD. (KR) 2011-04-28 — — US disclosed
US-20110098261-A1 TRITERPENOID-BASED COMPOUNDS USEFUL AS VIRUS INHIBITORS RNL BIO CO., LTD. (KR) 2011-04-28 — — US disclosed
EP-2289348-A2 Methodologies for improving the quality of meat, health status of animals and impact on environment Aarhus Universitet (DK) 2011-03-02 — — EP disclosed
US-20060240077-A1 Methodologies for improving the quality of meat, health status of animals and impact on environment DANMARKS JORDBRUGSFORSKNING (DK) 2006-10-26 — — US disclosed
EP-1610623-A1 METHODOLOGIES FOR IMPROVING THE QUALITY OF MEAT, HEALTH STATUS OF ANIMALS AND IMPACT ON ENVIRONMENT Danmarks Jordbrugsforskning (Danish Institute of Agricultural Sciences) (DK) 2006-01-04 — — EP disclosed
WO-2004084644-A1 METHODOLOGIES FOR IMPROVING THE QUALITY OF MEAT, HEALTH STATUS OF ANIMALS AND IMPACT ON ENVIRONMENT DANMARKS JORDBRUGSFORSKNING (DANISH INSTITUTE OF AGRICULTURAL SCIENCES) (DK) 2004-10-07 — — 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-20110105738-A1 DIARYL HEPATONOID-BASED COMPOUNDS USEFUL AS VIRUS INHIBITORS HAVCR2, CYP7A1, CYP51A1 TAS2R46 4093/4885MEN1 2086/4885KMT2A 3167/4885
US-20110098239-A1 NOVEL DIARYL HEPATONOID-BASED COMPOUNDS AND USE THEREOF HAVCR2, SLC10A1, CYP7A1 TAS2R46 4409/4885MEN1 2595/4885KMT2A 3169/4885
US-20110124740-A1 NOVEL DIARYL HEPATONOID-BASED COMPOUNDS AND USE THEREOF HAVCR2, SLC10A1, HSD11B1 TAS2R46 4284/4885MEN1 2126/4885KMT2A 3038/4885
US-20110098261-A1 TRITERPENOID-BASED COMPOUNDS USEFUL AS VIRUS INHIBITORS ZC3HAV1, CYP51A1, ZC3HAV1L TAS2R46 2837/4885MEN1 3018/4885KMT2A 4167/4885

“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.

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