SCHEMBL19862408

SCHEMBL19862408

CCOC(=O)C(COC)c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.42
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KCNQ2 O43526 1/20 0.40
AOC3 Q16853 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL17825651 0.84 ROCK2 (0.45) MEN1CYP2D6CYP2C19KMT2AMAPT
Hydrochloric Acid SCHEMBL7379790 0.83 ROCK2 (0.44) MEN1CYP2D6CYP2C19KMT2AMAPT
Hydrochloric Acid SCHEMBL7379773 0.83 ROCK2 (0.44) MEN1CYP2D6CYP2C19KMT2AMAPT
Hydrochloric Acid SCHEMBL7339178 0.83 ROCK2 (0.44) MEN1CYP2D6CYP2C19KMT2AMAPT
SCHEMBL18890099 0.83 L3MBTL1 (0.54) LMNAKDM4EKCNQ2AOC3TDP1
SCHEMBL18048626 0.82 MAPT (0.45) MEN1CYP2D6CYP2C19KMT2AMAPT
SCHEMBL819324 0.82 MMP8 (0.51) MEN1CYP2D6KMT2AKDM4ETDP1
SCHEMBL9715492 0.81 MAPT (0.50) MEN1CYP2D6CYP2C19KMT2AMAPT
SCHEMBL15645799 0.80 MMP8 (0.50) MEN1CYP2D6CYP2C19KMT2AMAPT
SCHEMBL17724586 0.79 KDM4E (0.51) MEN1CYP2D6CYP2C19KMT2AMAPT

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-20180044326-A1 LACTAMS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMAPANY (US) 2018-02-15 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-20180044326-A1 LACTAMS AS INHIBITORS OF ROCK MYLK, ROCK1, RHOA MEN1 89/4885CYP2D6 3421/4885CYP2C19 2014/4885

“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.