SCHEMBL4596958

SCHEMBL4596958

CC(C)C(=O)c1cccc(F)c1O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.60
CES2 O00748 6/20 0.46
CES1 P23141 6/20 0.46
BCHE P06276 1/20 0.44
P2RX1 P51575 1/20 0.42
P2RX7 Q99572 1/20 0.42
TP53 P04637 1/20 0.42
ERN1 O75460 1/20 0.41
PDK2 Q15119 1/20 0.41
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
FFAR1 O14842 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL12780284 0.82 CES2 (0.61) ALBCES2CES1BCHETP53
SCHEMBL888679 0.82 CES2 (0.58) CES2CES1BCHETP53PDK2
SCHEMBL15981547 0.80 TERT (0.46) GAAALDH1A1ALOX15GABRA1GABRB2
SCHEMBL1041622 0.78 ALB (0.67) ALBCES2CES1BCHEP2RX1
SCHEMBL28807718 0.77 ALB (0.72) ALBCES2CES1BCHEP2RX1
SCHEMBL24451119 0.77 TAS1R3 (0.46) CES2CES1P2RX1P2RX7PDK2
SCHEMBL14894841 0.77 MMP2 (0.60) PDK2GAAALDH1A1GABRA1GABRB2
SCHEMBL30689747 0.77 TAS1R3 (0.46) CES2CES1P2RX1P2RX7PDK2
SCHEMBL4598039 0.77 ALB (0.60) ALBCES2CES1BCHEP2RX1
SCHEMBL31249498 0.77 ALB (0.55) ALBCES2CES1BCHEP2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786823-B1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AG (DE) 2008-01-16 EP disclosed
EP-1786823-A1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-05-23 EP disclosed
US-20060084652-A1 Alkylidene-tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2006-04-20 US disclosed
WO-2006027236-A1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-03-16 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-20060084652-A1 Alkylidene-tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents PTGES, PTGS1, PTGES2 ALB 1573/4885CES2 1551/4885CES1 518/4885

“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.