SCHEMBL5833974

SCHEMBL5833974

CC(C)Cc1ccc([C@H](C)C(=O)OC(=O)c2ccccc2OC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.52
PTGS1 P23219 4/20 0.49
PGR P06401 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
SLC6A2 P23975 1/20 0.49
CXCR1 P25024 3/20 0.48
CXCR2 P25025 3/20 0.48
LMNA P02545 2/20 0.48
CYP2C9 P11712 2/20 0.48
AKR1C3 P42330 2/20 0.48
ALB P02768 1/20 0.48
ESR1 P03372 1/20 0.48
ALOX5 P09917 1/20 0.48
RARB P10826 1/20 0.48
ADRB3 P13945 1/20 0.48
NFKB1 P19838 1/20 0.48
HTR2A P28223 1/20 0.48
NR1I3 Q14994 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
CXCL8 P10145 1/20 0.48

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
SCHEMBL5833971 0.87 PTGS2 (0.54) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL12505816 0.85 MAPT (0.54) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL11570387 0.82 PTGS2 (0.56) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL5080304 0.82 PTGS2 (0.56) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL12505813 0.80 PTGS2 (0.58) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL9111108 0.79 PTGS2 (0.68) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL14201191 0.77 PTGS2 (0.72) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL11228053 0.76 PTGS2 (0.53) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL8081453 0.76 PTGS2 (0.58) PTGS2PTGS1PGRADORA3SLC6A2
SCHEMBL5835155 0.75 ALDH1A1 (0.49) LMNAADRB3TSHR

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
US-7015247-B2 Ibuprofen-aspirin, hydroxymethylacylfulvene analogs and L-sugar illudin analogs GUTTAG ALVIN 2006-03-21 US disclosed
US-20030008833-A1 Ibuprofen-aspirin, hydroxymethylacylfulvene analogs and L-sugar illudin analogs GUTTAG ALVIN (US) 2003-01-09 US disclosed
US-6436916-B1 PHENOLIC ESTERS OF IBUPROFEN WITH SALICYLIC ACID OR ITS NONTOXIC SALTS USED AS ANTITUMOR AGENT GUTTAG ALVIN (US) 2002-08-20 US disclosed
US-20020065254-A1 Ibuprofen-aspirin and hydroxymethylacylfulvene analogs GUTTAG ALVIN (US) 2002-05-30 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 (2 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-20020065254-A1 Ibuprofen-aspirin and hydroxymethylacylfulvene analogs PTGES3, HPGDS, PTGES PTGS2 9/4885PTGS1 5/4885PGR 2265/4885
US-20030008833-A1 Ibuprofen-aspirin, hydroxymethylacylfulvene analogs and L-sugar illudin analogs GALE, TPT1, HPSE PTGS2 53/4885PTGS1 35/4885PGR 4392/4885

“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.