SCHEMBL5873186

SCHEMBL5873186

O=C(CF)C(F)(F)C(=O)c1ccc(Br)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.41
CNR2 P34972 4/20 0.41
PRNP P04156 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.34
IDO1 P14902 1/20 0.33
MAPK1 P28482 1/20 0.33
KCNJ11 Q14654 1/20 0.32
EPHX1 P07099 1/20 0.32
FABP4 P15090 1/20 0.32

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
SCHEMBL17441862 0.80 MAPK1 (0.49) CNR1CNR2PRNPMEN1KMT2A
SCHEMBL710253 0.78 NR4A1 (0.49) CNR1CNR2MEN1KMT2AKDM4E
SCHEMBL17716660 0.77 CNR1 (0.46) CNR1CNR2PRNPMEN1KMT2A
SCHEMBL5873129 0.74 PLOD2 (0.42) CNR1CNR2PRNPMEN1KMT2A
SCHEMBL4598908 0.72 CES2 (0.48) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL5446678 0.71 ERCC5 (0.41) KMT2AKDM4EALDH1A1GAALMNA
SCHEMBL583437 0.70 CES1 (0.57) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL148141 0.69 PRNP (0.65) CNR1CNR2PRNPMEN1KMT2A
SCHEMBL9630805 0.68 CES1 (0.55) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL9565947 0.68 CES1 (0.55) MEN1KMT2AKDM4EALDH1A1MAPT

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-7067702-B2 Process for preparing vinyl substituted beta-diketones THE JOHNS HOPKINS UNIVERSITY (US) 2006-06-27 US disclosed
US-20060069288-A1 Process for preparing vinyl substituted beta-diketones THE JOHNS HOPKINS UNIVERSITY 2006-03-30 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-20060069288-A1 Process for preparing vinyl substituted beta-diketones VRK1, VRK2, DEK CNR1 4081/4885CNR2 4243/4885PRNP 4303/4885

“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.