SCHEMBL186563

SCHEMBL186563

CCCCC(CC)C(O)OCl

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.35
CA2 P00918 6/20 0.35
CA1 P00915 3/20 0.35
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 2/20 0.32
TSHR P16473 3/20 0.32
CYP3A4 P08684 3/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
FDPS P14324 1/20 0.31
DNM1 Q05193 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
SCHEMBL2539034 0.75 ALDH1A1 (0.41) ALDH1A1LMNACA2CA1MAPK1
SCHEMBL14125822 0.74 ALDH1A1 (0.44) ALDH1A1LMNACA2CA1MAPK1
SCHEMBL423728 0.74 ALDH1A1 (0.44) ALDH1A1LMNACA2CA1MAPK1
SCHEMBL11832228 0.74 ALDH1A1 (0.44) ALDH1A1LMNACA2CA1MAPK1
SCHEMBL12209116 0.74 ALDH1A1 (0.44) ALDH1A1LMNACA2CA1MAPK1
SCHEMBL6909027 0.74 ALDH1A1 (0.33) ALDH1A1LMNACA2CA1MAPK1
SCHEMBL1195884 0.74 TSHR (0.38) ALDH1A1LMNACA2CA1MAPK1
SCHEMBL28071184 0.74 HTT (0.42) DNM1
SCHEMBL11817761 0.72 ALDH1A1 (0.46) ALDH1A1LMNACA2CA1MAPK1
SCHEMBL4160464 0.72 CA2 (0.35) ALDH1A1LMNACA2CA1MAPK1

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-2402302-B1 PROCESS FOR PRODUCING ETHER COMPOUND KAO CORP (JP) 2017-11-22 EP disclosed
US-20120004470-A1 PROCESS FOR PRODUCING ETHER COMPOUND KAO CORPORATION (JP) 2012-01-05 US disclosed
EP-2402302-A1 PROCESS FOR PRODUCING ETHER COMPOUND Kao Corporation (JP) 2012-01-04 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 (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-20120004470-A1 PROCESS FOR PRODUCING ETHER COMPOUND CYP4F11, CYP4A11, RPS14 ALDH1A1 2958/4885LMNA 3682/4885CA2 1865/4885

“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.