SCHEMBL2881940

SCHEMBL2881940

O=C(c1ccc(COC2CCCCO2)cc1)c1ccc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ICAM1 P05362 1/20 0.43
SELE P16581 1/20 0.43
SSTR3 P32745 1/20 0.42
CREBBP Q92793 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
EP300 Q09472 1/20 0.39
ACHE P22303 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
VNN1 O95497 3/20 0.37
IDO1 P14902 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3811958 0.80 KMT2A (0.64) MEN1KMT2AICAM1SELECREBBP
SCHEMBL2830732 0.79 ICAM1 (0.53) MEN1KMT2AICAM1SELECREBBP
SCHEMBL4325200 0.78 KMT2A (0.52) MEN1KMT2AICAM1SELECREBBP
SCHEMBL32681294 0.77 HDAC1 (0.49) MEN1KMT2AICAM1SELECREBBP
SCHEMBL3809200 0.77 KMT2A (0.48) MEN1KMT2AICAM1SELECREBBP
SCHEMBL1704863 0.76 L3MBTL1 (0.41) MEN1KMT2AICAM1SELECREBBP
SCHEMBL14144356 0.76 KMT2A (0.50) MEN1KMT2AICAM1SELECREBBP
SCHEMBL92906 0.75 DRD4 (0.47) MEN1KMT2AICAM1SELECREBBP
SCHEMBL1704760 0.75 L3MBTL1 (0.40) MEN1KMT2AICAM1SELECREBBP
SCHEMBL4317051 0.75 ICAM1 (0.45) MEN1KMT2AICAM1SELECREBBP

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
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 US disclosed
US-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 US disclosed
EP-2072519-A1 DIARYL KETIMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-24 EP 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 (2 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-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MC1R, MCHR1, MCHR2 MEN1 582/4885KMT2A 443/4885ICAM1 4054/4885
US-20090247560-A1 Diaryl ketimine derivative NR0B2, NR2C2, NR3C2 MEN1 1187/4885KMT2A 76/4885ICAM1 3903/4885

“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.