SCHEMBL18878382

SCHEMBL18878382

Cc1cc(C(=O)C(C)C)c(C)cc1CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.35
DBH P09172 1/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
FFAR1 O14842 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
IKBKB O14920 1/20 0.32

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
SCHEMBL26177667 0.80 POLB (0.46) POLBKDM4EDBHGAARECQL
SCHEMBL18878377 0.76 FFAR1 (0.40) NPSR1POLBL3MBTL1KDM4EDBH
SCHEMBL18878380 0.76 KDM4E (0.50) KDM4EDBHGAARECQLGABRA1
SCHEMBL18878386 0.76 POLB (0.36) POLBL3MBTL1KDM4EDBHGAA
SCHEMBL18878383 0.75 GABRA1 (0.47) GABRA1GABRB2
SCHEMBL13450314 0.74 POLB (0.51) POLBL3MBTL1GABRA1GABRB2TDP1
SCHEMBL6563358 0.73 CHRNA1 (0.41) POLBKDM4EDBHGAARECQL
SCHEMBL6574382 0.73 MAPK1 (0.44) POLBKDM4EDBHGAARECQL
SCHEMBL23387413 0.72 GABRA1 (0.52) NPSR1POLBL3MBTL1KDM4EGAA
SCHEMBL24413625 0.71 KDM4E (0.47) NPSR1POLBKDM4EDBHGAA

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-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 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-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 NPSR1 3672/4885POLB 183/4885L3MBTL1 3597/4885

“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.