SCHEMBL1712653

SCHEMBL1712653

CN(CC[O])C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
CA14 Q9ULX7 2/20 0.37
PDK2 Q15119 1/20 0.36
GBA1 P04062 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33
CTSK P43235 3/20 0.33
AAK1 Q2M2I8 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
DGAT1 O75907 1/20 0.31
CTSD P07339 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
SCHEMBL10260946 0.89 HDAC6 (0.40) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL4613481 0.85 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL7905771 0.83 CA14 (0.44) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL19699862 0.83 CHRM2 (0.39) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL98924 0.83 CHRNB2 (0.44) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL23918634 0.82 PDK2 (0.39) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL5563929 0.82 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL20762898 0.81 GBA1 (0.39) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL14464157 0.81 CA14 (0.36) HDAC6HDAC1HDAC2CA14PDK2
SCHEMBL2682850 0.81 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14PDK2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200308109-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2020-10-01 US disclosed
US-20190177271-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2019-06-13 US disclosed
US-20150329491-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2015-11-19 US disclosed
EP-2345629-B1 FLUORENE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES JAPAN TOBACCO INC (JP) 2015-06-03 EP disclosed
US-8871934-B2 Fluorene compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2014-10-28 US disclosed
US-20130274240-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (US) 2013-10-17 US disclosed
US-8343994-B2 Fluorene compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2013-01-01 US disclosed
EP-2345629-A1 FLUORENE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Japan Tobacco, Inc. (JP) 2011-07-20 EP disclosed
US-20100240634-A1 Fluorene Compound and Pharmaceutical Use Thereof JAPAN TOBACCO INC. (JP) 2010-09-23 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 (5 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-20150329491-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF FH, PCK2, PC HDAC6 1189/4885HDAC1 1092/4885HDAC2 1906/4885
US-20100240634-A1 Fluorene Compound and Pharmaceutical Use Thereof FH, PCK2, PC HDAC6 1189/4885HDAC1 1092/4885HDAC2 1906/4885
US-20130274240-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF FH, PCK2, PC HDAC6 1189/4885HDAC1 1092/4885HDAC2 1906/4885
US-20190177271-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF FH, PCK2, PC HDAC6 1189/4885HDAC1 1092/4885HDAC2 1906/4885
US-20200308109-A1 FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF FH, PCK2, PC HDAC6 1189/4885HDAC1 1092/4885HDAC2 1906/4885

“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.