SCHEMBL3833747

SCHEMBL3833747

Cc1c(O)cc(C(C)C(=O)O)c(O)c1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.42
PTGS1 P23219 2/20 0.42
GRM1 Q13255 2/20 0.41
GABRA1 P14867 5/20 0.36
GABRB1 P18505 4/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
GABRB2 P47870 2/20 0.34
FFAR1 O14842 1/20 0.34
GAA P10253 2/20 0.34
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
ACHE P22303 1/20 0.33
MT-CO2 P00403 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL22645746 0.79 CA1 (0.54) PTGS1GABRA1GABRB1CA1CA2
SCHEMBL8823987 0.77 AKR1C3 (0.36) PTGS1GRM1LMNA
SCHEMBL60358 0.76 PTGS2 (0.49) PTGS2PTGS1GRM1GAALMNA
SCHEMBL490376 0.75 PTGS2 (0.51) PTGS2PTGS1GRM1FFAR1GAA
SCHEMBL31402519 0.75 PTGS2 (0.51) PTGS2PTGS1GRM1FFAR1GAA
SCHEMBL31139063 0.74 MT-CO2 (0.40) GRM1GABRA1GABRB1CA1CA2
SCHEMBL3833416 0.74 PTGS1 (0.47) PTGS2PTGS1GRM1GAAACHE
SCHEMBL7102472 0.71 PTGS2 (0.47) PTGS2PTGS1GABRA1GABRB1CA1
SCHEMBL28238190 0.69 TRPA1 (0.62) PTGS2PTGS1GAALMNAHTT
SCHEMBL11430189 0.69 BCL2 (0.47) GRM1GABRA1GABRB1CA1CA2

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-8505730-B2 Compositions, kits and regimens for the treatment of skin, especially décolletage JR CHEM, LLC (US) 2013-08-13 US disclosed
US-20120312717-A1 COMPOSITIONS, KITS AND REGIMENS FOR THE TREATMENT OF SKIN, ESPECIALLY DECOLLETAGE JR CHEM, LLC (US) 2012-12-13 US disclosed
US-8273791-B2 Compositions, kits and regimens for the treatment of skin, especially décolletage JR CHEM, LLC (US) 2012-09-25 US disclosed
EP-2087880-A2 Compositions, kits and regimens for the treatment of skin, especially décolletage Jr Chem, LLC (US) 2009-08-12 EP disclosed
US-20090176876-A1 COMPOSITIONS, KITS AND REGIMENS FOR THE TREATMENT OF SKIN, ESPECIALLY DECOLLETAGE JR CHEM, LLC (US) 2009-07-09 US disclosed
US-6960347-B2 Composition based on N-cholesteryloxycarbonyl-4-para-aminophenol and hydroquinone or one of its derivatives L'OREAL (FR) 2005-11-01 US disclosed
US-20010036446-A1 Composition based on N-cholesteryloxycarbonyl-4-para-aminophenol and hydroquinone or one of its derivatives L'OREAL (FR) 2001-11-01 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-20090176876-A1 COMPOSITIONS, KITS AND REGIMENS FOR THE TREATMENT OF SKIN, ESPECIALLY DECOLLETAGE RARG, RARA, RXRG PTGS2 1236/4885PTGS1 1464/4885GRM1 4279/4885

“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.