SCHEMBL13618873

SCHEMBL13618873

O=C(C[C@@H](c1ccc(CCC2CC2)cc1)C1CCCCC1)c1cc(C2CC2)cc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BRS3 P32247 1/20 0.33
DGAT1 O75907 1/20 0.33
FFAR1 O14842 1/20 0.33
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
ALOX5 P09917 2/20 0.32
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
EPHX1 P07099 2/20 0.31
CYP2D6 P10635 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TBK1 Q9UHD2 1/20 0.31

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
SCHEMBL13618881 0.99 FFAR1 (0.34) MEN1KMT2ABRS3DGAT1FFAR1
SCHEMBL13618889 0.83 LMNA (0.30)
SCHEMBL13618874 0.83 PDE2A (0.38) MEN1KMT2ADGAT1ALDH1A1
SCHEMBL13618883 0.81 PDE2A (0.39) MEN1KMT2ADGAT1ALDH1A1
SCHEMBL13618875 0.75 LMNA (0.39) MEN1KMT2AKDM4ENPC1TP53
SCHEMBL13618877 0.75 HDAC1 (0.37) MEN1KMT2AKDM4ENPC1HPGD
SCHEMBL13618871 0.75 TAS1R3 (0.36) MEN1KMT2ABRS3FFAR1F2
SCHEMBL13618884 0.73 LMNA (0.37) MEN1KMT2AKDM4ENPC1TP53
SCHEMBL13618887 0.73 HDAC1 (0.36) FFAR1NPC1HPGDRAB9A
SCHEMBL13618879 0.73 TAS1R3 (0.37) MEN1KMT2ABRS3FFAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 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-20090286765-A1 Therapeutic Agents GRIA1, GRIN1, GLRA1 MEN1 2578/4885KMT2A 1209/4885BRS3 2205/4885

“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.