SCHEMBL21880331

SCHEMBL21880331

C=C(C)CCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
CA14 Q9ULX7 2/20 0.36
PDK2 Q15119 1/20 0.33
GBA1 P04062 1/20 0.32
ASGR1 P07306 1/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
CACNA1G O43497 1/20 0.30
CACNA1B Q00975 1/20 0.30
CACNA1C Q13936 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL26917641 0.86 HDAC6 (0.43) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL8553597 0.85 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL12670076 0.84 AAK1 (0.36) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL10260946 0.82 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL21203873 0.81 HDAC6 (0.37) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL381146 0.81 HDAC6 (0.39) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL22416332 0.81 HDAC6 (0.34) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL19901069 0.81 HDAC6 (0.34) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL15370926 0.80 CA14 (0.39) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL5742200 0.80 CA14 (0.39) HDAC6HDAC1HDAC2CA14ASGR1

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-20200115368-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FORMA THERAPEUTICS, INC. 2020-04-16 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-20200115368-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FASN, SCD, FADS1 HDAC6 869/4885HDAC1 883/4885HDAC2 1381/4885

“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.