SCHEMBL4860643

SCHEMBL4860643

CCOC(=O)COc1ccc(NCC(=O)OC(C)(C)C)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
P2RX3 P56373 1/20 0.45
GAA P10253 3/20 0.44
CYP2C19 P33261 1/20 0.43
ADRB3 P13945 2/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
PKM P14618 2/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
KMT2A Q03164 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
SCHEMBL4851598 0.90 LMNA (0.51) RORCALDH1A1TDP1L3MBTL1GAA
SCHEMBL4861306 0.88 ESR1 (0.49) ALDH1A1GAAPOLBTSHRMAPT
SCHEMBL4861392 0.86 FFAR1 (0.45) POLB
SCHEMBL4860553 0.86 ALDH1A1 (0.53) ALDH1A1GAACYP2C19POLBTSHR
SCHEMBL4851453 0.86 RORC (0.54) RORCALDH1A1TDP1L3MBTL1P2RX3
SCHEMBL4859929 0.84 POLB (0.46) ALDH1A1L3MBTL1GAAPOLBMAPT
SCHEMBL4856511 0.80 RORC (0.55) RORCALDH1A1TDP1L3MBTL1P2RX3
SCHEMBL1549486 0.80 ITGB1 (0.40) ALDH1A1TDP1L3MBTL1GAAEGFR
SCHEMBL1549431 0.79 HTT (0.47) ALDH1A1POLBTSHRKDM4E
SCHEMBL4856533 0.78 ITGB1 (0.40) ALDH1A1MAPTKDM4EMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345067-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
EP-1636198-A1 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP 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 (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-20040248951-A1 Aniline derivatives, their manufacture and use as pharmaceuticals PPARA, PPARD, PPARG RORC 466/4885ALDH1A1 464/4885TDP1 3547/4885

“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.