SCHEMBL2086883

SCHEMBL2086883

CCOC(=O)Cn1cc(C=C(C#N)C(=O)O)c2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.76
▸ ALDH1A1 P00352 4/20 0.67
▸ MAPT P10636 4/20 0.63
▸ ATM Q13315 1/20 0.61
▸ SLC16A1 P53985 1/20 0.59
▸ MEN1 O00255 6/20 0.59
▸ KMT2A Q03164 6/20 0.59
▸ PTGDR2 Q9Y5Y4 3/20 0.59
▸ GAA P10253 1/20 0.58
▸ APP P05067 1/20 0.58
▸ SNCA P37840 1/20 0.58
▸ THRB P10828 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ CRHBP P24387 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57

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
SCHEMBL2086881 1.00 KDM4E (0.76) KDM4EALDH1A1MAPTATMSLC16A1
SCHEMBL5074583 0.86 APP (0.61) KDM4EALDH1A1MAPTATMSLC16A1
SCHEMBL21505958 0.82 ATM (0.77) KDM4EALDH1A1MAPTATMSLC16A1
SCHEMBL29802060 0.81 PTGDR2 (0.66) KDM4EALDH1A1MAPTATMSLC16A1
SCHEMBL1250151 0.81 ALDH1A1 (1.00) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL20615409 0.81 SNCA (0.80) KDM4EALDH1A1MAPTATMSLC16A1
SCHEMBL20603143 0.80 SNCA (0.77) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL30379008 0.80 SNCA (0.77) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29801866 0.80 PTGDR2 (0.65) KDM4EALDH1A1MAPTATMSLC16A1
SCHEMBL29801783 0.80 SNCA (0.73) KDM4EALDH1A1MAPTMEN1KMT2A

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-7897788-B2 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-03-01 — — US disclosed
EP-1740171-B1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-09 — — EP disclosed
US-20070208004-A1 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-09-06 — — US disclosed
EP-1740171-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2007-01-10 — — EP disclosed
WO-2005094816-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-10-13 — — 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-20070208004-A1 Indol-1-yl-acetic acid derivatives IDO1, IDO2, AANAT KDM4E 1271/4885ALDH1A1 67/4885MAPT 292/4885

“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.

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