SCHEMBL4877407

SCHEMBL4877407

CCOC(=O)CCCOc1ccccc1C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
HSP90AA1 P07900 2/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
CYP2C19 P33261 1/20 0.54
KDM4E B2RXH2 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
ABCB1 P08183 1/20 0.48
TBXAS1 P24557 1/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.46

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
Methyl Salicylate SCHEMBL4573550 0.94 LMNA (0.54) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL7709004 0.92 TSHR (0.57) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL7897849 0.84 ABCB1 (0.61) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL3783361 0.83 MAPT (0.56) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL27921658 0.82 LMNA (0.59) MAPTHTTNPSR1ALDH1A1SMN1; SMN2
SCHEMBL25365376 0.82 NPSR1 (0.63) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL25363213 0.82 HSP90AA1 (0.53) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL7956581 0.82 MAPT (0.62) MAPTHSP90AA1HTTNPSR1ALDH1A1
SCHEMBL8158041 0.82 PPARG (0.58) MAPTALDH1A1L3MBTL1TDP1
SCHEMBL5208038 0.82 PDE4A (0.46) MAPTHSP90AA1HTTNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735411-B2 Macrocyclic benzofused pyrimidine derivatives ABBVIE INC. (US) 2014-05-27 US disclosed
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 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-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives DPYD, TYMS, UMPS MAPT 1465/4885HSP90AA1 3106/4885HTT 1222/4885

“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.