SCHEMBL14944824

SCHEMBL14944824

CC(C)OC(C)C(=O)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GSK3B P49841 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
TNNI3 P19429 1/20 0.41
TNNT2 P45379 1/20 0.41
TNNC1 P63316 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL8864141 0.82 MEN1 (0.48) CES2CES1ALDH1A1LMNAMEN1
SCHEMBL20634127 0.82 SLC6A2 (0.42) CES2CES1ALDH1A1LMNAMEN1
SCHEMBL27404124 0.80 MAPT (0.47) CES2CES1ALDH1A1LMNAMEN1
SCHEMBL5781385 0.79 CES2 (0.43) CES2CES1ALDH1A1LMNAMEN1
SCHEMBL31359583 0.79 CES2 (0.43) CES2CES1ALDH1A1LMNAMEN1
SCHEMBL5781380 0.79 CES2 (0.43) CES2CES1ALDH1A1LMNAMEN1
SCHEMBL5006577 0.78 CES2 (0.42) CES2CES1ALDH1A1LMNAMEN1
SCHEMBL14036192 0.78 ALDH1A1 (0.45) CES2CES1ALDH1A1LMNAMEN1
SCHEMBL28910869 0.78 CES2 (0.42) CES2CES1ALDH1A1LMNAMEN1
SCHEMBL28910868 0.78 CES2 (0.42) CES2CES1ALDH1A1LMNAMEN1

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-2595613-B1 COMPOUNDS FOR USE IN A METHOD OF PREVENTING OR TREATING VIRAL INFECTION US HEALTH (US) 2019-01-09 EP disclosed
US-8871789-B2 Method of preventing or treating viral infection THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-10-28 US disclosed
US-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-05-16 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-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION KDM1B, KDM1A, KDM2A CES2 834/4885CES1 706/4885ALDH1A1 1149/4885

“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.