SCHEMBL4536231

SCHEMBL4536231

CCOC(=O)c1ccc(OCCF)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MAPT P10636 4/20 0.59
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
ESR1 P03372 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
ESR2 Q92731 1/20 0.56
CA14 Q9ULX7 1/20 0.56
LMNA P02545 3/20 0.54
KCNH2 Q12809 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
TBXAS1 P24557 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAOA P21397 1/20 0.54
STS P08842 1/20 0.54
ALDH1A1 P00352 4/20 0.54

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
SCHEMBL6701399 0.90 TDP1 (0.74) TDP1L3MBTL1MAPTCA12CA1
SCHEMBL6867384 0.88 TDP1 (0.64) TDP1L3MBTL1MAPTCA12CA1
SCHEMBL4247628 0.87 TDP1 (0.62) TDP1L3MBTL1MAPTCA12CA1
SCHEMBL5166263 0.86 TDP1 (0.66) TDP1L3MBTL1MAPTCA12CA1
SCHEMBL950916 0.86 L3MBTL1 (0.66) TDP1L3MBTL1MAPTCA12CA1
Hydrochloric Acid SCHEMBL4247625 0.85 TDP1 (0.61) TDP1L3MBTL1MAPTCA12CA1
SCHEMBL9798438 0.85 L3MBTL1 (0.61) TDP1L3MBTL1MAPTCA12CA1
SCHEMBL3196742 0.85 KCNH2 (0.64) TDP1L3MBTL1MAPTCA12CA1
SCHEMBL76052 0.84 ALDH1A1 (0.66) TDP1L3MBTL1MAPTCA12CA1
SCHEMBL25364034 0.84 L3MBTL1 (0.59) TDP1L3MBTL1MAPTCA12CA1

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-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 WO 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-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R TDP1 4775/4885L3MBTL1 4737/4885MAPT 1636/4885

“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.