SCHEMBL3655604

SCHEMBL3655604

C=C(C)C(=O)OCCC(CC[N+](CCC)(CCC)CCC)OP(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
THRB P10828 1/20 0.38
SMPD1 P17405 3/20 0.34
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL2039327 0.93 TSHR (0.44) TSHRTHRBSMPD1
SCHEMBL3651717 0.93 TSHR (0.48) TSHRTHRBSMPD1
SCHEMBL3649219 0.93 TSHR (0.48) TSHRTHRBSMPD1
SCHEMBL2041788 0.91 TSHR (0.50) TSHRTHRBSMPD1
SCHEMBL3652753 0.91 THRB (0.39) TSHRTHRBALDH1A1
SCHEMBL541549 0.90 TSHR (0.40) TSHRTHRBSMPD1ALDH1A1
SCHEMBL541607 0.88 THRB (0.37) TSHRTHRBALDH1A1
SCHEMBL2035724 0.88 TSHR (0.48) TSHRTHRBSMPD1
SCHEMBL3652580 0.88 TSHR (0.48) TSHRTHRBSMPD1
SCHEMBL3653981 0.86 TSHR (0.50) TSHRTHRBSMPD1

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-20130034509-A1 COSMETIC TREATMENT METHOD INVOLVING A COMPOUND CAPABLE OF CONDENSING IN SITU L'OREAL (FR) 2013-02-07 US disclosed
US-20100203004-A1 COSMETIC COMPOSITION CONTAINING A TENSIONING AGENT AND AN ACRYLIC POLYMER L'OREAL (FR) 2010-08-12 US disclosed
EP-2205197-A1 COSMETIC COMPOSITION CONTAINING A TENSIONING AGENT AND AN ACRYLIC POLYMER L'Oreal (FR) 2010-07-14 EP disclosed
WO-2009056545-A1 COSMETIC COMPOSITION CONTAINING A TENSIONING AGENT AND AN ACRYLIC POLYMER L'OREAL (FR) 2009-05-07 WO disclosed
EP-1764078-B1 Microcapsules with aqueous core and their use in cosmetic compositions OREAL (FR) 2008-05-14 EP disclosed
EP-1764078-A1 Microcapsules with aqueous core and their use in cosmetic compositions L'OREAL (FR) 2007-03-21 EP disclosed
EP-1163905-A1 SKIN PREPARATIONS FOR EXTERNAL USE NOF CORPORATION (JP) 2001-12-19 EP 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 (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-20130034509-A1 COSMETIC TREATMENT METHOD INVOLVING A COMPOUND CAPABLE OF CONDENSING IN SITU POLR1C, CUTA, MITF TSHR 3797/4885THRB 4619/4885SMPD1 621/4885
US-20100203004-A1 COSMETIC COMPOSITION CONTAINING A TENSIONING AGENT AND AN ACRYLIC POLYMER PHOSPHO1, CUTA, SGMS1 TSHR 3000/4885THRB 3607/4885SMPD1 7/4885

“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.