SCHEMBL2549286

SCHEMBL2549286

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
MAPT P10636 7/20 0.54
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
S1PR4 O95977 1/20 0.54
S1PR1 P21453 1/20 0.54
MAPK1 P28482 1/20 0.54
DHODH Q02127 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MITF O75030 1/20 0.46
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44

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
SCHEMBL2549284 1.00 MEN1 (0.54) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL5606761 0.88 CA12 (0.54) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL5606765 0.88 CA12 (0.54) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL11422766 0.87 MAPT (0.49) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL11422769 0.87 MAPT (0.49) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL2556586 0.86 MEN1 (0.51) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL2556583 0.86 MEN1 (0.51) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL4217424 0.86 KMT2A (0.73) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL4217428 0.86 KMT2A (0.73) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL27655716 0.86 MEN1 (0.74) 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.