SCHEMBL5160765

SCHEMBL5160765

CCC(c1ccc([N+](=O)[O-])cc1)C(OC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.46
AKR1C2 P52895 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 6/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.41
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
MEN1 O00255 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL5160730 0.81 NPC1 (0.49) AKR1C3AKR1C2TDP1ALDH1A1NPC1
SCHEMBL22303713 0.79 SLC1A3 (0.48) AKR1C3AKR1C2TDP1ALDH1A1NPC1
Hydrochloric Acid SCHEMBL7744789 0.78 SLC1A3 (0.47) AKR1C3AKR1C2TDP1ALDH1A1NPC1
SCHEMBL31718130 0.75 AKR1C3 (0.62) AKR1C3AKR1C2TDP1ALDH1A1NPC1
SCHEMBL135650 0.75 AKR1C3 (0.62) AKR1C3AKR1C2TDP1ALDH1A1NPC1
SCHEMBL2387750 0.75 KMT2A (0.54) AKR1C3AKR1C2TDP1ALDH1A1NPC1
SCHEMBL18924910 0.75 ALDH1A1 (0.47) TDP1ALDH1A1NPC1MAPK1MAPT
SCHEMBL27688813 0.74 ALDH1A1 (0.51) TDP1ALDH1A1NPC1MAPK1MAPT
Hydrochloric Acid SCHEMBL10484221 0.74 AKR1C3 (0.61) AKR1C3AKR1C2TDP1ALDH1A1NPC1
SCHEMBL6308371 0.73 ALDH1A1 (0.46) TDP1ALDH1A1POLBNPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753716-A1 BASIC SALTS AND MONOHYDRATES OF CERTAIN ALPHA, BETA-PROPRIONIC ACID DERIVATIVE Dr. Reddy's Laboratories Ltd. (IN) 2007-02-21 EP disclosed
WO-2006001795-A1 BASIC SALTS AND MONOHYDRATES OF CERTAIN ALPHA, BETA-PROPRIONIC ACID DERIVATIVE DR. REDDY'S LABORATORIES LIMITED (IN) 2006-01-05 WO disclosed
US-20050277693-A1 Basic salts and monohydrates of certain alpha, beta-propionic acid derivative DR. REDDY'S LABORATORIES LIMITED 2005-12-15 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-20050277693-A1 Basic salts and monohydrates of certain alpha, beta-propionic acid derivative SRM, PKD1, CA2 AKR1C3 1613/4885AKR1C2 1744/4885TDP1 3913/4885

“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.