SCHEMBL7030833

SCHEMBL7030833

CSc1ccc(-c2cc(C)oc(=O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
PTGS2 P35354 4/20 0.42
GLA P06280 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 1/20 0.41
AR P10275 1/20 0.39
PKM P14618 1/20 0.39
GSK3B P49841 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
HAO1 Q9UJM8 1/20 0.35
NQO1 P15559 1/20 0.34

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
SCHEMBL11856216 0.77 CA9 (0.50) CA1CA9PTGS2GLARAB9A
SCHEMBL7258141 0.77 HPGD (0.55) CA1CA9PTGS2GLARAB9A
SCHEMBL7030219 0.77 MAPT (0.38) PTGS2GLARAB9AALDH1A1KDM4E
SCHEMBL7021526 0.74 PTGS2 (0.52) PTGS2
SCHEMBL7254570 0.73 PTGS2 (0.43) PTGS2GLARAB9AALDH1A1KDM4E
SCHEMBL10300271 0.71 ALDH1A1 (0.50) PTGS2ALDH1A1HAO1
SCHEMBL10528160 0.71 ALDH1A1 (0.50) PTGS2ALDH1A1HAO1
SCHEMBL7028615 0.70 RAB9A (0.41) PTGS2GLARAB9AALDH1A1KDM4E
SCHEMBL7260584 0.69 KDM4E (0.43) PTGS2GLARAB9AALDH1A1KDM4E
SCHEMBL7259296 0.68 ADORA3 (0.43) PTGS2GLARAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299372-A1 PYRONES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC. (CA) 2003-04-09 EP disclosed
WO-2003006451-A1 4-PHENYLPYRAN-2-ONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2003-01-23 WO disclosed
US-6465509-B2 FOR THERAPY AND PROPHYLAXIS OF INFLAMMATORY DISEASE SUSCEPTIBLE TO TREATMENT WITH A NON-STEROIDAL ANTI-INFLAMMATORY AGENT MERCK FROSST CANADA & CO. (CA) 2002-10-15 US disclosed
US-20020058690-A1 For therapy and prophylaxis of inflammatory disease susceptible to treatment with a non- steroidal anti-inflammatory agent MERCK FROSST CANADA LTD. (CA) 2002-05-16 US disclosed
WO-2002002547-A1 PYRONES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA & CO. (CA) 2002-01-10 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-20020058690-A1 For therapy and prophylaxis of inflammatory disease susceptible to treatment with a non- steroidal anti-inflammatory agent PTGS1, PTGES2, PTGS2 CA1 2502/4885CA9 2863/4885PTGS2 3/4885

“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.