SCHEMBL20011267

SCHEMBL20011267

O=C(CC1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
ALDH1A1 P00352 6/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GSK3B P49841 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
POLB P06746 2/20 0.44
TSHR P16473 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL8940040 0.82 CA12 (0.73) CA12CA9ALDH1A1NPSR1KDM4E
SCHEMBL7437619 0.75 CA12 (0.63) CA12CA9ALDH1A1NPSR1KDM4E
SCHEMBL30295614 0.75 CA12 (0.63) CA12CA9ALDH1A1NPSR1KDM4E
SCHEMBL627213 0.75 CA12 (0.63) CA12CA9ALDH1A1NPSR1KDM4E
SCHEMBL11868277 0.75 CA12 (0.63) CA12CA9ALDH1A1NPSR1KDM4E
SCHEMBL11861092 0.75 CA12 (0.63) CA12CA9ALDH1A1NPSR1KDM4E
SCHEMBL12793876 0.75 POLB (0.57) CA12CA9ALDH1A1NPSR1MAPT
SCHEMBL14174618 0.74 CA12 (0.68) CA12CA9ALDH1A1NPSR1KDM4E
SCHEMBL11764230 0.73 CA12 (0.56) CA12CA9ALDH1A1NPSR1KDM4E
SCHEMBL25111150 0.72 CA12 (0.59) CA12CA9ALDH1A1NPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180085368-A1 MNK INHIBITORS AND METHODS RELATED THERETO EFFECTOR THERAPEUTICS, INC. (NL) 2018-03-29 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-20180085368-A1 MNK INHIBITORS AND METHODS RELATED THERETO TNNI3K, NIM1K, NEK9 CA12 4067/4885CA9 1695/4885ALDH1A1 4285/4885

“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.