SCHEMBL5081830

SCHEMBL5081830

CC(F)CC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
APLNR P35414 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
MLYCD O95822 10/20 0.36
CTSK P43235 1/20 0.33

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
SCHEMBL2690899 0.81 CYP2D6 (0.55) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL607503 0.79 CYP2D6 (0.53) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL5468494 0.79 CYP2D6 (0.53) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL96701 0.79 CYP2D6 (0.49) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1260631 0.79 CYP2D6 (0.53) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL25981474 0.78 MMP1 (0.40)
SCHEMBL1964905 0.77 CYP2D6 (0.47) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14016296 0.77 CYP2D6 (0.51) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14881066 0.77 CYP2D6 (0.47) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL21811455 0.77 CYP2D6 (0.47) CYP2D6HDAC3HDAC1HDAC2HDAC8

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-7381833-B2 Process for producing 1,2-cis-2-fluorocyclopropane-1-carboxylic ester compound DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-06-03 US disclosed
US-20070191626-A1 Process for producing 1,2-cis-2 fluorocyclopropane- 1carboxylic ester compound DAIICHI PHARMACEUTICAL CO., LTD (JP) 2007-08-16 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-20070191626-A1 Process for producing 1,2-cis-2 fluorocyclopropane- 1carboxylic ester compound HACL2, B2M, CA1 CYP2D6 1440/4885HDAC3 1541/4885HDAC1 576/4885

“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.