SCHEMBL1398700

SCHEMBL1398700

Cc1cccc(C(Cl)C(=O)C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.47
ACHE P22303 2/20 0.43
PARP1 P09874 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTBP2 P56545 1/20 0.38
CYP26A1 O43174 1/20 0.37
MEN1 O00255 1/20 0.37
TDP2 O95551 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GPR139 Q6DWJ6 1/20 0.37
POLB P06746 1/20 0.37
SLC6A9 P48067 1/20 0.36
MGAM O43451 1/20 0.36

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
SCHEMBL7131559 0.85 ACP3 (0.50) ACP3ACHEPARP1SMN1; SMN2CYP26A1
SCHEMBL3303520 0.81 ACP3 (0.50) ACP3ACHEPARP1SMN1; SMN2CTBP2
SCHEMBL11263818 0.81 ACHE (0.46) ACP3ACHEPARP1SMN1; SMN2CYP26A1
SCHEMBL6626050 0.81 ACHE (0.46) ACP3ACHEPARP1SMN1; SMN2CYP26A1
SCHEMBL3255499 0.81 CYP2C19 (0.42) ACP3ACHEALDH1A1LMNAHDAC8
SCHEMBL270288 0.81 CYP2C19 (0.42) ACP3ACHEALDH1A1LMNAHDAC8
SCHEMBL10443244 0.80 ACP3 (0.49) ACP3SMN1; SMN2CYP26A1MEN1ALDH1A1
SCHEMBL7282644 0.80 PARP1 (0.48) ACP3ACHEPARP1LMNAHDAC8
SCHEMBL1398866 0.79 HDAC4 (0.53) PARP1MEN1KMT2A
SCHEMBL5050305 0.78 CES2 (0.48) MEN1ALDH1A1MAPTKMT2ALMNA

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
US-7994336-B2 Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 US disclosed
EP-2069332-B1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-02 EP disclosed
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 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-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R ACP3 4835/4885ACHE 2898/4885PARP1 4435/4885

“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.