SCHEMBL18878381

SCHEMBL18878381

Cc1cc(C(=O)C(C)C)cc(C)c1CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
DBH P09172 1/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
FFAR1 O14842 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 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
SCHEMBL27986829 0.79 PPARA (0.43) POLBL3MBTL1PPARGPPARA
SCHEMBL18878380 0.78 KDM4E (0.50) KDM4EDBHGAARECQLTAS1R3
SCHEMBL18878386 0.78 POLB (0.36) KDM4EDBHGAARECQLFFAR1
SCHEMBL12088398 0.77 KDM4E (0.47) KDM4EDBHGAARECQLFFAR1
SCHEMBL10146785 0.74 KDM4E (0.44) KDM4EDBHGAARECQLFFAR1
SCHEMBL9962964 0.73 GAA (0.56) KDM4EDBHGAARECQLFFAR1
SCHEMBL18704842 0.73 CYP3A4 (0.42) KDM4EBCL2MCL1ALDH1A1GABRA1
SCHEMBL8388464 0.72 NOS2 (0.42) KDM4EGAABCL2MCL1ALDH1A1
SCHEMBL17718140 0.71 KDM4E (0.55) KDM4EDBHGAARECQLFFAR1
SCHEMBL27986406 0.70 THRA (0.43) L3MBTL1BCL2MCL1

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 KDM4E 1647/4885DBH 312/4885GAA 1762/4885

“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.