SCHEMBL2003500

SCHEMBL2003500

CC(=O)Oc1cccc(-c2c[nH]c3ccccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.55
ASH1L Q9NR48 1/20 0.52
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
GAPDH P04406 1/20 0.46
PRKCB P05771 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCH P24723 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCD Q05655 1/20 0.46
NR4A2 P43354 1/20 0.46
ACHE P22303 1/20 0.46
CYP3A4 P08684 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
BACE1 P56817 1/20 0.44
HTR1D P28221 1/20 0.44

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
SCHEMBL27851867 0.82 NPC1 (0.53) SLC22A6LMNAMAPTALDH1A1TDP1
SCHEMBL8479179 0.81 PIM1 (0.55) ASH1LLMNAALDH1A1CDK4CCND1
SCHEMBL17396446 0.77 LMNA (0.54) LMNAMAPTALDH1A1GAPDHACHE
SCHEMBL21438386 0.76 TP53 (0.62) SLC22A6LMNAMAPTALDH1A1CDK4
Propionic Acid SCHEMBL19133578 0.76 PRKCB (0.47) ASH1LALDH1A1PRKCBPRKCAPRKCH
SCHEMBL7807902 0.76 BRD4 (0.54) ASH1LALDH1A1BACE1
SCHEMBL2300936 0.76 ASH1L (0.52) ASH1LCDK4CCND1NR4A2PBRM1
SCHEMBL3675588 0.74 ASH1L (0.74) ASH1LALDH1A1NR4A2TDO2GSK3B
SCHEMBL4223719 0.74 SLC22A6 (0.69) SLC22A6LMNAMAPTCDK4CCND1
SCHEMBL4446422 0.74 MAPT (0.67) LMNAMAPTALDH1A1ACHECYP3A4

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
US-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
US-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 US disclosed
EP-1620088-A4 INDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS BAYER PHARMACEUTICALS CORP (US) 2007-08-29 EP disclosed
EP-1620088-A2 INDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS Bayer Pharmaceuticals Corporation (US) 2006-02-01 EP disclosed
WO-2004098498-A2 INDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2004-11-18 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-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT SLC22A6 2113/4885ASH1L 1650/4885LMNA 3247/4885

“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.