SCHEMBL2039638

SCHEMBL2039638

C=C(C)C(=O)OCCCCCC(C[N+](CCC)(CCC)CCC)OP(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
SMPD1 P17405 3/20 0.37
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PLA2G2A P14555 4/20 0.35
THRB P10828 1/20 0.35
PTPN1 P18031 1/20 0.32
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31
RAD52 P43351 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL3653087 0.99 TSHR (0.47) TSHRSMPD1POLBAPEX1HTT
SCHEMBL2039814 0.95 TSHR (0.44) TSHRSMPD1POLBAPEX1HTT
SCHEMBL2039323 0.94 TSHR (0.51) TSHRSMPD1POLBAPEX1HTT
SCHEMBL2036004 0.91 TSHR (0.48) TSHRSMPD1POLBAPEX1HTT
SCHEMBL541549 0.90 TSHR (0.40) TSHRSMPD1THRB
SCHEMBL2036202 0.89 TSHR (0.47) TSHRSMPD1POLBAPEX1HTT
SCHEMBL2041788 0.89 TSHR (0.50) TSHRSMPD1POLBAPEX1HTT
SCHEMBL3647770 0.89 TSHR (0.50) TSHRSMPD1POLBAPEX1HTT
SCHEMBL2035969 0.89 TSHR (0.46) TSHRSMPD1POLBAPEX1HTT
SCHEMBL3651717 0.86 TSHR (0.48) TSHRSMPD1POLBAPEX1HTT

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 9 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
EP-2512416-A2 COSMETIC TREATMENT METHOD INVOLVING A COMPOUND CAPABLE OF CONDENSING IN SITU L'Oréal (FR) 2012-10-24 EP disclosed
WO-2011073279-A2 COSMETIC TREATMENT METHOD INVOLVING A COMPOUND CAPABLE OF CONDENSING IN SITU L'OREAL (FR) 2011-06-23 WO 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 3797/4885SMPD1 621/4885POLB 39/4885
US-20100203004-A1 COSMETIC COMPOSITION CONTAINING A TENSIONING AGENT AND AN ACRYLIC POLYMER PHOSPHO1, CUTA, SGMS1 TSHR 3000/4885SMPD1 7/4885POLB 731/4885

“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.