SCHEMBL4861216

SCHEMBL4861216

CCOC(=O)COc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.53
MAPT P10636 9/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ALDH1A1 P00352 7/20 0.48
LMNA P02545 5/20 0.48
HPGD P15428 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
RAB9A P51151 3/20 0.48
MAPK1 P28482 3/20 0.48
TLR9 Q9NR96 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
NTSR1 P30989 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.48
ITGA4 P13612 1/20 0.48
S1PR1 P21453 1/20 0.48
POLB P06746 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
SCHEMBL16096315 0.90 MAPT (0.49) S1PR4MAPTRXFP1ALDH1A1LMNA
SCHEMBL8865199 0.86 MAPT (0.55) S1PR4MAPTRXFP1ALDH1A1LMNA
SCHEMBL27456246 0.85 MAPT (0.50) S1PR4MAPTRXFP1ALDH1A1LMNA
SCHEMBL13215153 0.85 POLB (0.57) S1PR4MAPTRXFP1ALDH1A1LMNA
SCHEMBL20042055 0.84 ALDH1A1 (0.55) S1PR4MAPTRXFP1ALDH1A1LMNA
SCHEMBL3536740 0.84 ALDH1A1 (0.60) S1PR4MAPTRXFP1ALDH1A1LMNA
SCHEMBL3535207 0.84 MAPT (0.60) MAPTRXFP1ALDH1A1LMNAHPGD
SCHEMBL3529184 0.84 MAPT (0.47) S1PR4MAPTRXFP1ALDH1A1LMNA
SCHEMBL6978171 0.83 SMN1; SMN2 (0.54) S1PR4MAPTRXFP1ALDH1A1LMNA
SCHEMBL4009938 0.83 KMT2A (0.49) S1PR4MAPTRXFP1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210122704-A1 NOVEL PHENOXUACETIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND USES OF DERIVATIVE AS DRUG CHINA PHARMACEUTICAL UNIVERSITY (CN) 2021-04-29 US disclosed
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 (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 S1PR4 1620/4885MAPT 4842/4885RXFP1 166/4885
US-20210122704-A1 NOVEL PHENOXUACETIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND USES OF DERIVATIVE AS DRUG GOT1, CYP4A11, SLC5A1 S1PR4 2990/4885MAPT 3463/4885RXFP1 665/4885

“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.