SCHEMBL3229965

SCHEMBL3229965

C[C@@H]1c2ccccc2[C@H](C)C1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 8/20 0.54
EDNRB P24530 6/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 4/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NOTUM Q6P988 1/20 0.40
CYP2C19 P33261 1/20 0.39
GRM8 O00222 1/20 0.38
GRM7 Q14831 1/20 0.38
GRM4 Q14833 1/20 0.38
FABP3 P05413 1/20 0.37

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
SCHEMBL3229949 1.00 EDNRA (0.54) EDNRAEDNRBMEN1KMT2APOLB
SCHEMBL6065374 1.00 EDNRA (0.54) EDNRAEDNRBMEN1KMT2APOLB
SCHEMBL6065513 1.00 EDNRA (0.54) EDNRAEDNRBMEN1KMT2APOLB
SCHEMBL3229958 1.00 EDNRA (0.54) EDNRAEDNRBMEN1KMT2APOLB
SCHEMBL24179855 0.80 MEN1 (0.49) EDNRAEDNRBMEN1KMT2APOLB
SCHEMBL18575422 0.76 ALDH1A1 (0.45) EDNRAEDNRBMEN1KMT2APOLB
SCHEMBL7852876 0.75 EDNRA (0.71) EDNRAEDNRBMEN1KMT2APOLB
SCHEMBL11483539 0.75 EDNRA (0.71) EDNRAEDNRBMEN1KMT2APOLB
SCHEMBL28435319 0.73 EDNRA (0.56) EDNRAEDNRBMEN1KMT2APOLB
SCHEMBL6818186 0.70 EDNRA (1.00) EDNRAEDNRBMEN1KMT2APOLB

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-7745462-B2 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2010-06-29 US disclosed
US-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2007-03-22 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-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases ADRB2, ADRA2C, ADRB1 EDNRA 291/4885EDNRB 257/4885MEN1 2971/4885

“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.