SCHEMBL233324

SCHEMBL233324

Cc1ccc(C(C)C)c(OC(C)C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
THRB P10828 1/20 0.51
TSHR P16473 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
NPBWR1 P48145 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MCHR1 Q99705 1/20 0.49
KMT2A Q03164 1/20 0.47

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
SCHEMBL11172926 0.85 TDP1 (0.51) ALDH1A1TDP1KDM4ELMNAL3MBTL1
SCHEMBL11707991 0.84 ALDH1A1 (0.50) ALDH1A1TDP1KDM4ELMNAL3MBTL1
SCHEMBL7277166 0.83 TDP1 (0.59) ALDH1A1TDP1KDM4ELMNATSHR
SCHEMBL13973026 0.80 TSHR (0.58) ALDH1A1TDP1KDM4EL3MBTL1TSHR
SCHEMBL8190106 0.80 TSHR (0.62) ALDH1A1TDP1KDM4ELMNATSHR
SCHEMBL10207269 0.80 TSHR (0.54) ALDH1A1TDP1KDM4ELMNATSHR
SCHEMBL21939298 0.80 TSHR (0.50) ALDH1A1TDP1KDM4ELMNAL3MBTL1
SCHEMBL7392692 0.79 TSHR (0.71) ALDH1A1TDP1KDM4ELMNAL3MBTL1
SCHEMBL18668840 0.79 LMNA (0.61) ALDH1A1TDP1KDM4ELMNAL3MBTL1
SCHEMBL19308590 0.78 LMNA (0.50) ALDH1A1TDP1KDM4ELMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590931-B1 (2-ARYLOXY-ACETYLAMINO)-PHENYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS MEDICAMENT SANOFI SA (FR) 2014-04-30 EP disclosed
US-8648038-B2 (2-aryloxyacetylamino)phenylpropionic acid derivatives, processes for preparation thereof and use thereof as medicaments SANOFI (FR) 2014-02-11 US disclosed
EP-2590931-A1 (2-ARYLOXY-ACETYLAMINO)-PHENYL-PROPIONIC ACID DERIVATIVES, METHOD FOR PRODUCING SAME AND USE THEREOF AS PHARMACEUTICALS SANOFI (FR) 2013-05-15 EP disclosed
WO-2012004269-A1 (2-ARYLOXY-ACETYLAMINO)-PHENYL-PROPIONIC ACID DERIVATIVES, METHOD FOR PRODUCING SAME AND USE THEREOF AS PHARMACEUTICALS SANOFI (FR) 2012-01-12 WO disclosed
US-20120004167-A1 (2-ARYLOXYACETYLAMINO) PHENYLPROPIONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS SANOFI (FR) 2012-01-05 US disclosed
US-20100291151-A1 1-METHYLPYRAZOLE MODULATORS OF SUBSTANCE P, CALCITONIN GENE-RELATED PEPTIDE, ADRENERGIC RECEPTOR, AND/OR 5-HT RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-11-18 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-20100291151-A1 1-METHYLPYRAZOLE MODULATORS OF SUBSTANCE P, CALCITONIN GENE-RELATED PEPTIDE, ADRENERGIC RECEPTOR, AND/OR 5-HT RECEPTOR TACR1, HTR3A, HTR3C ALDH1A1 887/4885TDP1 1383/4885KDM4E 3622/4885
US-20120004167-A1 (2-ARYLOXYACETYLAMINO) PHENYLPROPIONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS GPR119, DPP9, DPP7 ALDH1A1 91/4885TDP1 3790/4885KDM4E 1967/4885

“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.