SCHEMBL5461111

SCHEMBL5461111

CCOC(=O)Cc1ccc(OCC(=O)O)c(OCC)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
GLA P06280 1/20 0.56
ALDH1A1 P00352 6/20 0.49
MAPT P10636 5/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 3/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 3/20 0.47
KDM4E B2RXH2 1/20 0.46
DVL1 O14640 1/20 0.45

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
SCHEMBL5489263 0.91 ALDH1A1 (0.56) L3MBTL1ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL29463785 0.91 ALDH1A1 (0.56) L3MBTL1ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL1890195 0.85 ALDH1A1 (0.52) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL5472798 0.85 FFAR1 (0.55) L3MBTL1GLA
SCHEMBL14431528 0.84 MEN1 (0.47) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL3782064 0.84 LMNA (0.55) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL1882466 0.83 ALDH1A1 (0.44) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL1883666 0.82 ALDH1A1 (0.58) L3MBTL1GLAALDH1A1MAPTCYP1A2
SCHEMBL1886694 0.81 ALDH1A1 (0.46) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
Bromide SCHEMBL10998875 0.81 ALDH1A1 (0.57) L3MBTL1GLAALDH1A1MAPTCYP1A2

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-20070197626-A1 Indoline derivatives BAYER HEALTHCARE AG (DE) 2007-08-23 US disclosed
US-20070197626-A1 Indoline derivatives BAYER HEALTHCARE AG (DE) 2007-08-23 US disclosed
US-20070197626-A1 Indoline derivatives BAYER HEALTHCARE AG (DE) 2007-08-23 US disclosed
EP-1675825-A2 INDOLINE DERIVATIVES AS PPAR-DELTA MODULATORS Bayer HealthCare AG (DE) 2006-07-05 EP disclosed
WO-2005019169-A2 INDOLINE DERIVATIVES AS PPAR-DELTA MODULATORS BAYER HEALTHCARE AG (DE) 2005-03-03 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-20070197626-A1 Indoline derivatives PPARD, PPARA, PPARG L3MBTL1 3469/4885GLA 1410/4885ALDH1A1 2344/4885

“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.