SCHEMBL13039619

SCHEMBL13039619

COc1ccc2c(c1)CCC(C1CCc3cc(OC)ccc3C1=O)C2=O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.60
HTR2A P28223 2/20 0.60
HTR2C P28335 2/20 0.60
HTR2B P41595 2/20 0.60
SIGMAR1 Q99720 2/20 0.60
CYP24A1 Q07973 6/20 0.58
CYP27A1 Q02318 3/20 0.58
CYP26A1 O43174 3/20 0.58
CYP19A1 P11511 1/20 0.58
METAP1 P53582 3/20 0.51
SRD5A1 P18405 2/20 0.51
ACHE P22303 1/20 0.47

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
SCHEMBL31748825 0.90 DRD2 (0.64) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL27393934 0.88 DRD2 (0.51) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7271049 0.85 CYP24A1 (0.56) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL630841 0.85 ACHE (0.58) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL3587277 0.84 CYP24A1 (0.55) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL5753017 0.84 CYP24A1 (0.55) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL22867686 0.84 CYP24A1 (0.55) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL2440274 0.84 CYP24A1 (0.56) DRD2HTR2AHTR2CHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL1813880 0.83 CYP24A1 (0.54) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7519184 0.83 CYP24A1 (0.54) DRD2HTR2AHTR2CHTR2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE, LLC (US) 2010-11-04 US disclosed
US-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE, LLC (US) 2010-11-04 US disclosed
US-7799954-B2 Dicarbonyl derivatives and methods of use ABRAXIS BIOSCIENCE, LLC (US) 2010-09-21 US disclosed
US-7799954-B2 Dicarbonyl derivatives and methods of use ABRAXIS BIOSCIENCE, LLC (US) 2010-09-21 US disclosed
US-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE (US) 2008-06-19 US disclosed
US-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE (US) 2008-06-19 US disclosed
WO-2008064060-A2 DICARBONYL DERIVATIVES AND METHODS OF USE ABRAXIS BIOSCIENCE, INC. (US) 2008-05-29 WO 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 (2 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-20080146586-A1 DICARBONYL DERIVATIVES AND METHODS OF USE AADAC, DCK, MLYCD DRD2 3539/4885HTR2A 4750/4885HTR2C 4819/4885
US-20100279963-A1 DICARBONYL DERIVATIVES AND METHODS OF USE AADAC, DCK, MLYCD DRD2 3539/4885HTR2A 4750/4885HTR2C 4819/4885

“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.