SCHEMBL3088154

SCHEMBL3088154

CC(C)(C)C(Oc1cccc(CO)n1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLG P00747 4/20 0.38
PLAU P00749 4/20 0.38
PLAT P00750 4/20 0.38
EDNRB P24530 13/20 0.36
EDNRA P25101 13/20 0.36
TRPV3 Q8NET8 2/20 0.36
P2RX3 P56373 1/20 0.34

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
SCHEMBL7424712 0.75 ADORA2A (0.42) TRPV3
SCHEMBL1281889 0.73 TSHR (0.43) EDNRBEDNRA
SCHEMBL3275823 0.72 TRPV3 (0.54) TRPV3P2RX3
SCHEMBL4538300 0.72 MBOAT4 (0.47) TRPV3
SCHEMBL30242161 0.72 MBOAT4 (0.47) TRPV3
SCHEMBL6215677 0.71 TSHR (0.47) PLGPLAUPLAT
SCHEMBL27832398 0.70 NPSR1 (0.41)
SCHEMBL27725052 0.70 TSHR (0.37) TRPV3
SCHEMBL15486343 0.69 KMT2A (0.49)
SCHEMBL19542 0.69 KDM1A (0.44) TRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486970-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2013-07-16 US disclosed
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-09 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-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 PLG 3513/4885PLAU 1340/4885PLAT 3341/4885

“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.