SCHEMBL2029772

SCHEMBL2029772

COc1cc(OC)c(C(C)=O)c(OC)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.78
USP2 O75604 1/20 0.78
MAPK1 P28482 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
KMT2A Q03164 1/20 0.67
ABCG2 Q9UNQ0 3/20 0.53
KDM4E B2RXH2 1/20 0.47
ABL1 P00519 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.47
RIN1 Q13671 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
LMNA P02545 2/20 0.47
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 1/20 0.46
ERN1 O75460 1/20 0.46
HTT P42858 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45

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
SCHEMBL16018016 0.88 CYP3A4 (0.68) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
Xanthoxylin SCHEMBL44708 0.88 CYP3A4 (1.00) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
Xanthoxylin SCHEMBL29349586 0.88 CYP3A4 (1.00) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL1156165 0.87 CYP3A4 (0.62) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL16009934 0.86 CYP3A4 (0.66) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL2203125 0.86 CYP3A4 (0.66) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
Xanthoxylin SCHEMBL28802531 0.86 CYP3A4 (0.96) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL23327124 0.86 CYP3A4 (0.60) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL30545309 0.86 CYP3A4 (0.60) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL12303218 0.85 CYP3A4 (0.64) CYP3A4USP2MAPK1SMN1; SMN2KMT2A

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 341 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113956226-A Method for synthesizing carvachin 南京科技职业学院 2022-01-21 CN claimed
CN-112824370-A Method for synthesizing pentamethoxyl chalcone 南京科技职业学院 2021-05-21 CN claimed
CN-112778208-A Dihydropyrazole MurA enzyme inhibitor molecule and preparation method and application thereof 中南民族大学 2021-05-11 CN claimed
US-9174906-B2 Process for producing optically active secondary alcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-11-03 US claimed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
EP-2340239-A2 SYNTHESIS OF MYRTUCOMMULON A AND MYRTUCOMMULON ANALOGUES Universität des Saarlandes (DE) 2011-07-06 EP claimed
WO-2010022953-A2 SYNTHESIS OF MYRTUCOMMULON A AND MYRTUCOMMULON ANALOGUES Universität des Saarlandes (DE) 2010-03-04 WO claimed
US-7413579-B2 Method for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-19 US claimed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP claimed
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 US claimed
US-20050262647-A1 Agent for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-12-01 US claimed
EP-1434557-B1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KGAA (DE) 2005-11-09 EP claimed
EP-1585489-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2005-10-19 EP claimed
US-20050144740-A1 Agents used for dyeing keratinous fibers HENKEL AG & CO. KGAA (DE) 2005-07-07 US claimed
WO-2004058203-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (US) 2004-07-15 WO claimed
EP-1432388-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
EP-1433469-A1 Composition for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
WO-2003030847-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1300133-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed

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-20050144740-A1 Agents used for dyeing keratinous fibers KRT18, TUBB3, DSG1 CYP3A4 2086/4885USP2 3357/4885MAPK1 1557/4885
US-20050262647-A1 Agent for dyeing fibers containing keratin KRT18, CKAP4, KRTCAP2 CYP3A4 1707/4885USP2 2832/4885MAPK1 961/4885

“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.