SCHEMBL4064482

SCHEMBL4064482

C=CCCOC(=Cc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.41
AKR1C3 P42330 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
AKR1C1 Q04828 1/20 0.40
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RECQL P46063 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL368334 0.83 CYP3A4 (0.51) MEN1KMT2AKDM4EAKR1C3CYP3A4
SCHEMBL11683148 0.81 MEN1 (0.46) MEN1KMT2AAKR1C3CYP3A4CYP2C9
SCHEMBL6637645 0.80 MEN1 (0.47) MEN1KMT2AAKR1C3CYP3A4CYP2C9
SCHEMBL11685413 0.79 MEN1 (0.44) MEN1KMT2AAKR1C3CYP3A4CYP2C9
SCHEMBL10784757 0.78 AKR1C3 (0.46) MEN1KMT2AKDM4EAKR1C3CYP3A4
SCHEMBL924566 0.78 MEN1 (0.49) MEN1KMT2AAKR1C3CYP3A4CYP2C9
SCHEMBL528920 0.78 MEN1 (0.49) MEN1KMT2AAKR1C3CYP3A4CYP2C9
SCHEMBL5078093 0.77 TDP1 (0.51) MEN1KMT2AKDM4EAKR1C3CYP3A4
SCHEMBL2229690 0.76 MEN1 (0.66) MEN1KMT2AKDM4EAKR1C3CYP3A4
SCHEMBL1373611 0.75 ALDH1A1 (0.50) MEN1KMT2AAKR1C3CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050271692-A1 Topical cosmetic compositions COSMECEUTIC SOLUTIONS PTY. LTD. 2005-12-08 US claimed
US-20050186141-A1 Transdermal aerosol compositions ACRUX DDS PTY LTD. 2005-08-25 US claimed
EP-1534241-A1 TRANSDERMAL AEROSOL COMPOSITIONS Acrux DDS Pty Ltd (AU) 2005-06-01 EP claimed
EP-1534214-A1 TOPICAL COSMETIC COMPOSITIONS Cosmeceutic Solutions Pty Ltd (AU) 2005-06-01 EP claimed
WO-2004000275-A1 TRANSDERMAL AEROSOL COMPOSITIONS ACRUX DDS PTY LTD (AU) 2003-12-31 WO claimed
WO-2004000242-A1 TOPICAL COSMETIC COMPOSITIONS COSMECEUTIC SOLUTIONS PTY LTD (AU) 2003-12-31 WO claimed
US-20090098069-A1 TRANSDERMAL, ALCOHOL-FREE, PHARMACEUTICAL COMPOSITIONS DRUGTECH CORPORATION (US) 2009-04-16 US disclosed
WO-2009036311-A1 TRANSDERMAL, ALCOHOL-FREE, PHARMACEUTICAL COMPOSITIONS DRUGTECH CORPORATION (US) 2009-03-19 WO disclosed
US-20050271692-A1 Topical cosmetic compositions COSMECEUTIC SOLUTIONS PTY. LTD. 2005-12-08 US disclosed
US-20050186141-A1 Transdermal aerosol compositions ACRUX DDS PTY LTD. 2005-08-25 US disclosed
EP-1534241-A1 TRANSDERMAL AEROSOL COMPOSITIONS Acrux DDS Pty Ltd (AU) 2005-06-01 EP disclosed
EP-1534214-A1 TOPICAL COSMETIC COMPOSITIONS Cosmeceutic Solutions Pty Ltd (AU) 2005-06-01 EP disclosed
US-20050002868-A1 Method of treatment of a female suffering from androgen insufficiency ACRUX DDS PTY LTD. 2005-01-06 US disclosed
WO-2004000242-A1 TOPICAL COSMETIC COMPOSITIONS COSMECEUTIC SOLUTIONS PTY LTD (AU) 2003-12-31 WO disclosed
WO-2004000275-A1 TRANSDERMAL AEROSOL COMPOSITIONS ACRUX DDS PTY LTD (AU) 2003-12-31 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 (3 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-20050271692-A1 Topical cosmetic compositions CUTA, MITF, DSG1 MEN1 2207/4885KMT2A 3646/4885KDM4E 2898/4885
US-20050186141-A1 Transdermal aerosol compositions TSLP, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TRPA1 MEN1 3884/4885KMT2A 4837/4885KDM4E 4381/4885
US-20090098069-A1 TRANSDERMAL, ALCOHOL-FREE, PHARMACEUTICAL COMPOSITIONS NOTUM, TSLP, FAR1 MEN1 1430/4885KMT2A 4201/4885KDM4E 1736/4885

“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.