SCHEMBL1550128

SCHEMBL1550128

CNc1ccc(OCC(=O)OC)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.46
MAPT P10636 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 4/20 0.45
S1PR1 P21453 3/20 0.45
KDM4E B2RXH2 3/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.42
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL1549432 0.88 KDM4E (0.45) MAPTMEN1KMT2AHTTS1PR1
SCHEMBL2351854 0.82 AR (0.47) ARMAPTMEN1KMT2AHTT
SCHEMBL4859367 0.81 PSEN1 (0.42) ARMAPTMEN1KMT2AHTT
SCHEMBL4861601 0.81 ALDH1A1 (0.48) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL1549036 0.80 HTT (0.54) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL4862154 0.80 APP (0.52) MAPTMEN1KMT2AHTTCYP2C19
SCHEMBL10246170 0.79 RXRA (0.48) ARMAPTMEN1KMT2AHTT
SCHEMBL4859783 0.78 LMNA (0.46) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL4856683 0.78 LMNA (0.46) MAPTMEN1KMT2AHTTKDM4E
SCHEMBL4860695 0.78 LMNA (0.62) MAPTMEN1KMT2AHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314576-A1 Phenyl derivatives as PPAR agonists F.HOFFMANN-LA ROCHE AG (CH) 2011-04-27 EP disclosed
US-7345067-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
US-7115611-B2 Phenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-10-03 US disclosed
EP-1682508-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
EP-1636198-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
WO-2005049573-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 US disclosed
WO-2004111020-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-23 WO disclosed
US-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-12-09 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-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals PPARA, PPARD, PPARG AR 142/4885MAPT 4842/4885MEN1 4569/4885
US-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG AR 289/4885MAPT 2957/4885MEN1 4086/4885

“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.