SCHEMBL4859910

SCHEMBL4859910

CCOC(=O)COc1ccc(NC)cc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
NLRP3 Q96P20 1/20 0.44
CXCR1 P25024 1/20 0.44
CXCR2 P25025 1/20 0.44
ESR1 P03372 1/20 0.43
MAPT P10636 1/20 0.43
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP9 P55211 1/20 0.42
MAPK1 P28482 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL4861601 0.87 ALDH1A1 (0.48) FFAR1ALDH1A1LMNAMAPT
SCHEMBL25223765 0.86 TDP1 (0.52) FFAR1LMNANLRP3CXCR1CXCR2
SCHEMBL1549815 0.86 ESR1 (0.54) ALDH1A1ESR1MAPTCASP3CASP7
SCHEMBL4860326 0.83 ALDH1A1 (0.62) ALDH1A1LMNAMAPT
SCHEMBL4856511 0.83 RORC (0.55) ALDH1A1LMNAMAPTMAPK1
SCHEMBL1549432 0.83 KDM4E (0.45) ALDH1A1ESR1MAPTCASP3CASP7
SCHEMBL9272260 0.82 ALDH1A1 (0.50) FFAR1ALDH1A1LMNANLRP3ESR1
SCHEMBL13239750 0.82 LMNA (0.58) ALDH1A1LMNANLRP3ESR1MAPT
SCHEMBL29536561 0.82 LMNA (0.58) ALDH1A1LMNANLRP3ESR1MAPT
SCHEMBL4854202 0.82 FFAR1 (0.47) FFAR1LMNANLRP3CXCR1CXCR2

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 FFAR1 24/4885ALDH1A1 464/4885LMNA 1382/4885

“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.