SCHEMBL6861607

SCHEMBL6861607

C=CCc1ccc(OC(=O)CCC(=O)Oc2ccc(CC=C)cc2OC)c(OC)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.76
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
CYP3A4 P08684 2/20 0.69
TDP1 Q9NUW8 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
ALDH1A1 P00352 4/20 0.69
PPARA Q07869 3/20 0.69
PPARG P37231 1/20 0.69
PPARD Q03181 1/20 0.69
SMN1; SMN2 Q16637 3/20 0.62
MAPT P10636 3/20 0.62
KDM4E B2RXH2 1/20 0.62
LMNA P02545 1/20 0.62
GAA P10253 1/20 0.62
HTT P42858 1/20 0.62
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
PRSS1 P07477 1/20 0.59
ACR P10323 1/20 0.59

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
SCHEMBL30464902 1.00 PTGS1 (0.76) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL6863539 0.96 PTGS1 (0.71) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL19900582 0.95 PTGS1 (0.69) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL25685503 0.93 PTGS1 (0.67) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL9309716 0.93 PTGS1 (0.71) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL25777398 0.92 PTGS1 (0.66) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL7650763 0.92 PTGS1 (0.69) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL10584786 0.92 PTGS1 (0.69) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL11613528 0.91 PTGS1 (0.67) PTGS1MEN1KMT2ACYP3A4TDP1
SCHEMBL6860229 0.90 PTGS1 (0.63) PTGS1MEN1KMT2ACYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894437-B Eugenol hydrogen sulfide derivative and preparation method and application thereof 南京师范大学 2024-02-23 CN claimed
CN-115894437-A Eugenol hydrogen sulfide derivative and preparation method and application thereof 南京师范大学 2023-04-04 CN claimed
CN-115894437-B Eugenol hydrogen sulfide derivative and preparation method and application thereof 南京师范大学 2024-02-23 CN disclosed
US-20230189802-A1 MONOTERPENOID/PHENYLPROPANOID-CONTAINING COMPOUNDS AND METHODS OF THEIR MAKING AND USE AS BAITS KITTRICH CORPORATION 2023-06-22 US disclosed
CN-115894437-A Eugenol hydrogen sulfide derivative and preparation method and application thereof 南京师范大学 2023-04-04 CN disclosed
US-20210235693-A1 MONOTERPENOID/PHENYLPROPANOID-CONTAINING COMPOUNDS AND METHODS OF THEIR MAKING AND USE AS SEED TREATMENTS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2021-08-05 US disclosed
WO-2011089576-A2 NOVEL COMPOSITIONS FOR REDUCING Aß 42 PRODUCTION AND THEIR USE IN TREATING ALZHEIMER'S DISEASE (AD) KAREUS THERAPEUTTICS SA (CH) 2011-07-28 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-20230189802-A1 MONOTERPENOID/PHENYLPROPANOID-CONTAINING COMPOUNDS AND METHODS OF THEIR MAKING AND USE AS BAITS CYP51A1, CYP4A22, ACHE PTGS1 346/4885MEN1 1442/4885KMT2A 3328/4885
US-20210235693-A1 MONOTERPENOID/PHENYLPROPANOID-CONTAINING COMPOUNDS AND METHODS OF THEIR MAKING AND USE AS SEED TREATMENTS ALOX5, PTGES, ALOX15 PTGS1 127/4885MEN1 3209/4885KMT2A 2649/4885

“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.