SCHEMBL2549288

SCHEMBL2549288

CCOC(=O)C(=Cc1ccc(C)cc1)CC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
MAPT P10636 8/20 0.53
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MAPK1 P28482 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
S1PR4 O95977 1/20 0.53
S1PR1 P21453 1/20 0.53
EPHX2 P34913 3/20 0.50
DHODH Q02127 1/20 0.47
PTGS2 P35354 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
NR1H4 Q96RI1 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
SCHEMBL5606769 0.88 CA12 (0.53) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL15248883 0.88 CA12 (0.53) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL4217431 0.87 KMT2A (0.71) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL27418955 0.87 MAPT (0.50) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL2556588 0.87 NPSR1 (0.50) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL14198607 0.86 MEN1 (0.72) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL13103426 0.86 MEN1 (0.72) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL13881164 0.85 MAPT (0.49) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL3952982 0.85 MAPT (0.49) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL3952978 0.85 MAPT (0.49) MEN1KMT2AMAPTLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2555623-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2013-02-13 EP disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 WO 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-20130029980-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS MEN1 4701/4885KMT2A 3363/4885MAPT 4531/4885

“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.