SCHEMBL3080754

SCHEMBL3080754

CCOCCCOc1cc(C)ccc1C(=O)OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
HTT P42858 2/20 0.61
HSP90AA1 P07900 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
TDP1 Q9NUW8 3/20 0.49
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 5/20 0.44
ALDH1A1 P00352 5/20 0.44
APP P05067 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.41
PPARD Q03181 1/20 0.40

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
SCHEMBL498071 0.88 HTT (0.63) MAPTHTTHSP90AA1NPSR1TDP1
SCHEMBL3078708 0.87 MAPT (0.65) MAPTHTTHSP90AA1NPSR1TDP1
SCHEMBL2847294 0.85 TDP1 (0.64) MAPTHTTHSP90AA1NPSR1TDP1
SCHEMBL6043225 0.84 HTT (0.61) MAPTHTTHSP90AA1NPSR1TDP1
SCHEMBL29234769 0.83 L3MBTL1 (0.47) MAPTHTTHSP90AA1NPSR1TDP1
SCHEMBL6042705 0.82 MAPT (0.59) MAPTHTTHSP90AA1NPSR1TDP1
SCHEMBL14975682 0.80 TSHR (0.50) MAPTHTTHSP90AA1NPSR1TDP1
SCHEMBL2772330 0.78 MAPT (0.61) MAPTHTTHSP90AA1NPSR1TDP1
SCHEMBL9125892 0.78 HTT (0.53) MAPTHTTHSP90AA1NPSR1TDP1
SCHEMBL14974837 0.77 TSHR (0.50) MAPTHTTHSP90AA1NPSR1TDP1

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-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 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-20070010511-A1 Organic compounds REN, ACE, ACE2 MAPT 2397/4885HTT 4130/4885HSP90AA1 3122/4885

“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.