SCHEMBL9519732

SCHEMBL9519732

COc1ccc(CCC(C)=O)cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.67
CYP3A4 P08684 3/20 0.63
CYP1A2 P05177 2/20 0.63
TSHR P16473 1/20 0.63
NFKB1 P19838 1/20 0.63
LMNA P02545 2/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
KDM4E B2RXH2 1/20 0.62
TP53 P04637 1/20 0.62
MAPT P10636 1/20 0.62
MAOA P21397 1/20 0.62
SLC6A2 P23975 1/20 0.62
SLC6A3 Q01959 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MEN1 O00255 1/20 0.61
APEX1 P27695 1/20 0.61
KMT2A Q03164 1/20 0.61
GAA P10253 1/20 0.61
TUBB4A P04350 3/20 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
SCHEMBL4002776 0.88 ALOX5 (0.67) CYP19A1CYP3A4CYP1A2TSHRNFKB1
Zingerone SCHEMBL14763994 0.87 ALOX5 (0.74) CYP3A4CYP1A2TSHRNFKB1LMNA
Zingerone SCHEMBL29828498 0.87 ALOX5 (0.74) CYP3A4CYP1A2TSHRNFKB1LMNA
SCHEMBL490726 0.87 GAA (0.71) CYP19A1CYP3A4CYP1A2TSHRNFKB1
Zingerone SCHEMBL29378477 0.87 ALOX5 (0.74) CYP3A4CYP1A2TSHRNFKB1LMNA
Zingerone SCHEMBL119051 0.87 ALOX5 (0.74) CYP3A4CYP1A2TSHRNFKB1LMNA
SCHEMBL31337638 0.87 GAA (0.71) CYP19A1CYP3A4CYP1A2TSHRNFKB1
SCHEMBL269005 0.86 NPC1 (0.61) CYP19A1CYP3A4CYP1A2LMNANPC1
SCHEMBL6339281 0.85 ALOX5 (0.77) CYP19A1CYP3A4CYP1A2TSHRNFKB1
SCHEMBL28287006 0.85 CYP19A1 (0.65) CYP19A1CYP3A4CYP1A2TSHRNFKB1

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
US-11746364-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-09-05 US disclosed
US-11739354-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-08-29 US disclosed
EP-2624808-B1 USE OF SUBSTITUTED METHOXYALKOXYPHENYLALKYL DERIVATIVES AS PRESERVATIVE, PRESERVING METHOD, COMPOUNDS AND COMPOSITION L'ORÉAL (FR) 2017-03-22 EP disclosed
US-9381143-B2 Use of substituted methoxyalkoxyphenylalkyl derivatives as preservative, preserving method, compounds and composition L'OREAL (FR) 2016-07-05 US disclosed
US-20130230473-A1 USE OF SUBSTITUTED METHOXYALKOXYPHENYLALKYL DERIVATIVES AS PRESERVATIVE, PRESERVING METHOD, COMPOUNDS AND COMPOSITION L'OREAL (FR) 2013-09-05 US disclosed
EP-0316790-B1 RHODANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND THEIR USE NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-08-11 EP disclosed
US-4897406-A CHEMICAL MEDIATOR INHIBITORS INCLUDING LEUKOTRIENES; ANTIALLERGENS; BRONCHODILATOR AND ANTIICHEMIC AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-01-30 US 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 (1 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-20130230473-A1 USE OF SUBSTITUTED METHOXYALKOXYPHENYLALKYL DERIVATIVES AS PRESERVATIVE, PRESERVING METHOD, COMPOUNDS AND COMPOSITION H1-0, H1-3, C9 CYP19A1 79/4885CYP3A4 738/4885CYP1A2 166/4885

“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.