SCHEMBL18878380

SCHEMBL18878380

Cc1cc(C(=O)C(C)C)ccc1CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
DBH P09172 1/20 0.50
GAA P10253 1/20 0.50
RECQL P46063 1/20 0.50
CHRNA1 P02708 2/20 0.39
CHRNG P07510 2/20 0.39
CHRNB1 P11230 2/20 0.39
CHRNB2 P17787 2/20 0.39
SLC6A2 P23975 2/20 0.39
CHRNB4 P30926 2/20 0.39
SLC6A4 P31645 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CHRND Q07001 2/20 0.39
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
EPHX2 P34913 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36

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
SCHEMBL2538201 0.86 EPHX2 (0.49) GAAEPHX2MEN1LMNAHPGD
SCHEMBL28401244 0.83 KMT2A (0.37) KDM4EGABRA1GABRB2EPHX2TAS1R3
SCHEMBL2538454 0.81 ALDH1A1 (0.47) KDM4EGAAMEN1LMNAHPGD
SCHEMBL3670046 0.79 KDM4E (0.59) KDM4EDBHGAARECQLCHRNA1
SCHEMBL18878387 0.78 KDM4E (0.46) KDM4EDBHGAARECQLSLC6A4
SCHEMBL18878381 0.78 KDM4E (0.40) KDM4EDBHGAARECQLGABRA1
SCHEMBL28401246 0.77 CES2 (0.41) KDM4EGAAMEN1LMNAHPGD
SCHEMBL18878382 0.76 NPSR1 (0.37) KDM4EDBHGAARECQLGABRA1
SCHEMBL172415 0.76 KDM4E (0.71) KDM4EDBHGAARECQLCHRNA1
SCHEMBL879752 0.74 CHRNA1 (0.64) KDM4EDBHGAARECQLCHRNA1

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.