SCHEMBL8779753

SCHEMBL8779753

COc1ccccc1N(C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.53
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 1/20 0.44
CA4 P22748 1/20 0.44
HTT P42858 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PIK3CA P42336 1/20 0.42
PAX8 Q06710 1/20 0.42
TLR9 Q9NR96 1/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL12574308 0.86 TSPO (0.50) TSPOCA1CA2CA12CA7
SCHEMBL2536563 0.85 TSPO (0.67) TSPOCA1CA2CA12CA7
SCHEMBL7816426 0.83 TSPO (0.47) TSPOCA1CA2CA12CA7
SCHEMBL10481539 0.83 TSPO (0.47) TSPOCA1CA2CA12CA7
SCHEMBL10939691 0.83 TSPO (0.47) TSPOCA1CA2CA12CA7
SCHEMBL9955764 0.83 TSPO (0.47) TSPOCA1CA2CA12CA7
SCHEMBL4601280 0.82 PAX8 (0.50) TSPOCA1CA2CA12CA7
SCHEMBL28399460 0.81 TSPO (0.46) TSPOCA1CA2CA12CA7
SCHEMBL10939697 0.81 TSPO (0.45) TSPOCA1CA2CA12CA7
SCHEMBL514005 0.80 TSPO (0.45) TSPOCA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371294-B2 Cycloalkenyl aryl derivatives for CETP inhibitor CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-06-21 US disclosed
US-20150119376-A2 CYCLOALKENYL ARYL DERIVATIVES FOR CETP INHIBITOR CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-04-30 US disclosed
EP-2655323-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO disclosed
EP-0525197-B1 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOGS SHIONOGI & CO (JP) 1997-08-27 EP disclosed
US-5319100-A Antiinflammatory agent which does not cause stomach diseases SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-06-07 US disclosed
US-5319099-A Antiinflammatory agent which does not cause stomach diseases SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-06-07 US disclosed
EP-0525197-A1 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOG SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-02-03 EP 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-20150119376-A2 CYCLOALKENYL ARYL DERIVATIVES FOR CETP INHIBITOR CETP, MTTP, LCAT TSPO 1812/4885CA1 4543/4885CA2 3634/4885

“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.