SCHEMBL4064477

SCHEMBL4064477

C=CCCOc1ccc(C=CC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
THRB P10828 1/20 0.54
ATM Q13315 1/20 0.54
TBXAS1 P24557 2/20 0.53
POLB P06746 1/20 0.51
HCAR2 Q8TDS4 2/20 0.47
CA12 O43570 1/20 0.47
AKR1B10 O60218 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ESR1 P03372 1/20 0.47
CA3 P07451 1/20 0.47
PKM P14618 1/20 0.47
TYR P14679 1/20 0.47
AKR1B1 P15121 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
DPP4 P27487 1/20 0.47
CA5A P35218 1/20 0.47

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
SCHEMBL7338819 0.88 ALDH1A1 (0.55) ALDH1A1L3MBTL1THRBATMTBXAS1
SCHEMBL7338829 0.88 ALDH1A1 (0.55) ALDH1A1L3MBTL1THRBATMTBXAS1
SCHEMBL11686354 0.87 THRB (0.65) THRBATMTBXAS1POLBHCAR2
SCHEMBL11684594 0.85 THRB (0.62) THRBATMTBXAS1POLBHCAR2
SCHEMBL38652226 0.85 ABCG2 (0.63) ALDH1A1L3MBTL1KMT2A
SCHEMBL1670086 0.84 SLC5A1 (0.62) ALDH1A1THRBATMTBXAS1HCAR2
SCHEMBL1670087 0.84 SLC5A1 (0.62) ALDH1A1THRBATMTBXAS1HCAR2
SCHEMBL2449264 0.83 POLB (0.53) ALDH1A1L3MBTL1THRBATMTBXAS1
SCHEMBL2449262 0.83 POLB (0.53) ALDH1A1L3MBTL1THRBATMTBXAS1
SCHEMBL10848226 0.82 TBXAS1 (0.49) ALDH1A1L3MBTL1THRBATMTBXAS1

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 ALDH1A1 1409/4885L3MBTL1 4672/4885THRB 3697/4885
US-20050186141-A1 Transdermal aerosol compositions TSLP, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TRPA1 ALDH1A1 1538/4885L3MBTL1 4804/4885THRB 2966/4885
US-20090098069-A1 TRANSDERMAL, ALCOHOL-FREE, PHARMACEUTICAL COMPOSITIONS NOTUM, TSLP, FAR1 ALDH1A1 532/4885L3MBTL1 3414/4885THRB 1305/4885

“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.