SCHEMBL7157702

SCHEMBL7157702

O=C(OCCCBr)c1cc(O)c(O)c(O)c1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 5/20 0.79
ESR1 P03372 3/20 0.70
AKR1C4 P17516 1/20 0.66
AKR1C3 P42330 1/20 0.66
AKR1C2 P52895 1/20 0.66
AKR1C1 Q04828 1/20 0.66
TYR P14679 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL7163576 0.95 SERPINE1 (0.77) SERPINE1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL7775753 0.89 SERPINE1 (1.00) SERPINE1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL13287172 0.89 SERPINE1 (0.92) SERPINE1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL28100061 0.87 SERPINE1 (0.89) SERPINE1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL13286951 0.87 SERPINE1 (0.89) SERPINE1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL24871867 0.87 SERPINE1 (0.89) SERPINE1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL27797541 0.87 SERPINE1 (0.89) SERPINE1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL2791373 0.85 SERPINE1 (1.00) SERPINE1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL28384704 0.84 SERPINE1 (0.82) SERPINE1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL22660351 0.84 CA12 (0.56) SERPINE1ESR1AKR1C4AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1433297-A Topical compositions comprising protected functional thiols PROCTER & GAMBLE (US) 2003-07-30 CN disclosed
US-6544499-B1 Polysiloxane or silicone resin, a linker, and a molecular hook for treating amino acid based substrates; hair care THE PROCTER & GAMBLE COMPANY 2003-04-08 US disclosed
US-6495125-B2 MAY BE USED IN HAIR CARE, TEXTILE CARE, COSMETICS, ORAL CARE FORMULATIONS, SKIN, NAIL, LAUNDRY, ACNE CARE FORMULATIONS THE PROCTER & GAMBLE COMPANY 2002-12-17 US disclosed
US-20020012639-A1 May be used in hair care, textile care, cosmetics, oral care formulations, skin, nail, laundry, acne care formulations PROCTER & GAMBLE COMPANY, THE 2002-01-31 US disclosed
EP-1143916-A2 TOPICAL COMPOSITIONS COMPRISING PROTECTED FUNCTIONAL THIOLS THE PROCTER & GAMBLE COMPANY (US) 2001-10-17 EP disclosed
WO-2000040210-A2 TOPICAL COMPOSITIONS COMPRISING PROTECTED FUNCTIONAL THIOLS THE PROCTER & GAMBLE COMPANY (US) 2000-07-13 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 (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-20020012639-A1 May be used in hair care, textile care, cosmetics, oral care formulations, skin, nail, laundry, acne care formulations SCLY, TST, SRR SERPINE1 1494/4885ESR1 2345/4885AKR1C4 290/4885

“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.