SCHEMBL2297295

SCHEMBL2297295

CC(C)(C)N1C[C@H](c2ccc(Br)cc2)OCC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.47
BRD4 O60885 1/20 0.41
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2C9 P11712 6/20 0.33
CYP3A4 P08684 6/20 0.33
CYP2C19 P33261 5/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 2/20 0.33
THRB P10828 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32

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
SCHEMBL2293124 1.00 MDM2 (0.47) MDM2BRD4DDB1CRBNHSD17B10
SCHEMBL2296887 0.85 MEN1 (0.41) MEN1KMT2ACYP2D6
SCHEMBL2294966 0.85 MEN1 (0.41) MEN1KMT2ACYP2D6
SCHEMBL2295159 0.85 MDM2 (0.41) MDM2CYP2C19TSHRTHRBPOLB
SCHEMBL2295639 0.85 MDM2 (0.41) MDM2CYP2C19TSHRTHRBPOLB
SCHEMBL9640958 0.85 TSHR (0.40) BRD4HSD17B10CYP3A4ALDH1A1TSHR
SCHEMBL2295502 0.81 KMT2A (0.37) ALDH1A1MEN1MAPTKMT2APOLB
SCHEMBL2292364 0.81 KMT2A (0.37) ALDH1A1MEN1MAPTKMT2APOLB
SCHEMBL2296789 0.80 BRD4 (0.55) MDM2BRD4DDB1CRBNHSD17B10
SCHEMBL2293215 0.80 BRD4 (0.55) MDM2BRD4DDB1CRBNHSD17B10

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-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 US claimed
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
EP-2221305-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
EP-2221304-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 EP disclosed
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 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 (3 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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MDM2 1186/4885BRD4 950/4885DDB1 3995/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MDM2 1186/4885BRD4 950/4885DDB1 3995/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 MDM2 1186/4885BRD4 950/4885DDB1 3995/4885

“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.