SCHEMBL4851453

SCHEMBL4851453

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.54
▸ ALDH1A1 P00352 6/20 0.47
▸ MAPT P10636 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ P2RX3 P56373 1/20 0.46
▸ HPGD P15428 4/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NLRP3 Q96P20 1/20 0.44
▸ ADRB3 P13945 2/20 0.44
▸ PPARG P37231 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ GAA P10253 1/20 0.43

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
SCHEMBL4855183 0.88 ESR1 (0.51) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL4860643 0.86 RORC (0.46) RORCALDH1A1MAPTL3MBTL1TDP1
SCHEMBL4851624 0.86 ALDH1A1 (0.55) ALDH1A1MAPTHPGDKMT2ACYP1A2
SCHEMBL4854202 0.86 FFAR1 (0.47) MAPTHPGDNLRP3PPARG
SCHEMBL4851692 0.84 S1PR1 (0.45) RORCMAPTL3MBTL1HPGDKMT2A
SCHEMBL4856511 0.82 RORC (0.55) RORCALDH1A1MAPTL3MBTL1TDP1
SCHEMBL8477824 0.82 ALDH1A1 (0.61) ALDH1A1MAPTTDP1KMT2ANPC1
SCHEMBL2007999 0.81 GAA (0.44) ALDH1A1MAPTL3MBTL1TDP1HPGD
SCHEMBL4856473 0.80 EPHX2 (0.54) ALDH1A1MAPTTDP1HPGDKMT2A
SCHEMBL30781150 0.80 RORC (0.49) RORCALDH1A1GAA

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 464/4885MAPT 4842/4885

“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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