SCHEMBL3326846

SCHEMBL3326846

CC(C)[C@H](CC=O)COCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.43
CA1 P00915 4/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
TACR1 P25103 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
SLC1A1 P43005 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.38

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
SCHEMBL3326851 1.00 TSHR (0.44) TSHRHTTCA1CA2CA7
SCHEMBL21239569 0.84 TSHR (0.56) TSHRHTTCA1CA2CA7
SCHEMBL8183880 0.84 CA1 (0.46) TSHRHTTCA1CA2CA7
SCHEMBL7334524 0.83 TSHR (0.47) TSHRHTTCA1CA2CA7
SCHEMBL10467869 0.83 TSHR (0.47) TSHRHTTCA1CA2CA7
SCHEMBL10467753 0.83 TSHR (0.47) TSHRHTTCA1CA2CA7
SCHEMBL12444919 0.80 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL12444920 0.80 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL9449354 0.80 TSHR (0.50) TSHRHTTCA1CA2CA7
SCHEMBL10508626 0.80 TSHR (0.50) TSHRHTTCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338620-B2 Methods for the production of C-8 lactam lactone compounds NOVARTIS AG (CH) 2012-12-25 US disclosed
US-8338620-B2 Methods for the production of C-8 lactam lactone compounds NOVARTIS AG (CH) 2012-12-25 US disclosed
US-8338620-B2 Methods for the production of C-8 lactam lactone compounds NOVARTIS AG (CH) 2012-12-25 US disclosed
US-20100130749-A1 METHODS NODEN PHARMA DAC (IE) 2010-05-27 US disclosed
US-20100130749-A1 METHODS NODEN PHARMA DAC (IE) 2010-05-27 US disclosed
US-20100130749-A1 METHODS NODEN PHARMA DAC (IE) 2010-05-27 US disclosed
CN-101679213-A New methods NOVARTIS AG 2010-03-24 CN disclosed
EP-2142497-A1 NEW METHODS Novartis Ag (CH) 2010-01-13 EP disclosed
WO-2008119804-A1 NEW METHODS NOVARTIS AG (CH) 2008-10-09 WO disclosed
WO-2008119804-A1 NEW METHODS NOVARTIS AG (CH) 2008-10-09 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-20100130749-A1 METHODS REN, AGTR1, AGTR2 TSHR 1981/4885HTT 2250/4885CA1 2246/4885

“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.