SCHEMBL14675853

SCHEMBL14675853

C=C(C)C(=O)OCCCC(CCOP(=O)(O)O)[N+](CC)(CC)CC

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
THRB P10828 1/20 0.38
LPAR3 Q9UBY5 4/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR2 Q9HBW0 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.31
ENPP2 Q13822 4/20 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
SCHEMBL28874073 0.95 TSHR (0.40) TSHRTHRBLPAR3LPAR1LPAR2
SCHEMBL2038241 0.94 TSHR (0.46) TSHRTHRBLPAR3LPAR1LPAR2
SCHEMBL2034320 0.89 TSHR (0.47) TSHRTHRBLPAR3LPAR1LPAR2
SCHEMBL3677974 0.87 TSHR (0.42) TSHRTHRBLPAR3LPAR1LPAR2
SCHEMBL28874076 0.85 TSHR (0.41) TSHRTHRBLPAR3LPAR1LPAR2
SCHEMBL20582579 0.84 THRB (0.40) TSHRTHRBLPAR3LPAR1LPAR2
SCHEMBL28874094 0.84 TSHR (0.43) TSHRTHRBLPAR3LPAR1LPAR2
SCHEMBL2040421 0.84 TSHR (0.47) TSHRTHRBLPAR3LPAR1LPAR2
SCHEMBL28874092 0.84 TSHR (0.46) TSHRTHRBLPAR3LPAR1LPAR2
SCHEMBL2036641 0.83 THRB (0.39) TSHRTHRBALDH1A1

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 1 patent. 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

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-20130034509-A1 COSMETIC TREATMENT METHOD INVOLVING A COMPOUND CAPABLE OF CONDENSING IN SITU POLR1C, CUTA, MITF TSHR 3797/4885THRB 4619/4885LPAR3 1687/4885

“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.