SCHEMBL18878377

SCHEMBL18878377

Cc1cc(CC(C)C)c(C)c(C)c1C(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.34
DBH P09172 1/20 0.34
GAA P10253 1/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 3/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.32
HPGD P15428 2/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
GFER P55789 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
SCHEMBL18878384 0.78 FFAR1 (0.42) FFAR1ALDH1A1KDM4ELMNAGABRA1
SCHEMBL18878382 0.76 NPSR1 (0.37) FFAR1ALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL18878378 0.75 LMNA (0.39) FFAR1ALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL18878380 0.71 KDM4E (0.50) SMN1; SMN2KDM4EDBHGAARECQL
SCHEMBL10019207 0.70 FFAR1 (0.50) FFAR1ALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL4385920 0.70 FFAR1 (0.50) FFAR1ALDH1A1KDM4EDBHGAA
SCHEMBL18878385 0.69 GABRA1 (0.38) ALDH1A1POLBMAPK1SMN1; SMN2LMNA
SCHEMBL12936374 0.69 FFAR1 (0.46) FFAR1ALDH1A1KDM4EDBHGAA
SCHEMBL18878386 0.68 POLB (0.36) FFAR1ALDH1A1POLBKDM4EDBH
SCHEMBL18878381 0.67 KDM4E (0.40) FFAR1ALDH1A1POLBKDM4EDBH

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 FFAR1 4194/4885ALDH1A1 2824/4885POLB 183/4885

“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.