SCHEMBL7377688

SCHEMBL7377688

C=C(C)CC(C(=O)O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.61
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP2D6 P10635 1/20 0.52
ALOX5 P09917 1/20 0.50
AKR1C3 P42330 1/20 0.45
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
FFAR1 O14842 3/20 0.44
PTGES O14684 1/20 0.44
GLI1 P08151 1/20 0.44
GLI2 P10070 1/20 0.44
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
EPOR P19235 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42

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
SCHEMBL4129755 0.84 CTSL (0.47) PTGS1MEN1KMT2A
SCHEMBL5110019 0.83 PTGS1 (0.67) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL30371750 0.81 PTGS1 (0.64) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL7380424 0.81 PTGS1 (0.68) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL6925413 0.80 PTGS1 (0.62) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL8813325 0.80 PTGS1 (0.62) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL11644321 0.79 CYP2C19 (0.69) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL11138445 0.78 PTGS1 (0.63) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL4489361 0.77 PTGS1 (0.62) PTGS1MEN1KMT2ACYP2D6ALOX5
SCHEMBL4489363 0.77 PTGS1 (0.62) PTGS1MEN1KMT2ACYP2D6ALOX5

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-1019046-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM (US) 2002-11-27 EP disclosed
US-20020049316-A1 Protease inhibitors HALBERT STACIE MARIE (US) 2002-04-25 US disclosed
EP-1019046-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-07-19 EP disclosed
WO-1998048799-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 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-20020049316-A1 Protease inhibitors CTSK, CTSZ, CTSG PTGS1 167/4885MEN1 1159/4885KMT2A 3900/4885

“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.