SCHEMBL2994530

SCHEMBL2994530

CCOC(=O)C1(C)CCCC(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 4/20 0.36
CYP3A4 P08684 3/20 0.36
F10 P00742 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
OPRM1 P35372 3/20 0.34
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2D6 P10635 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
SCHEMBL14159065 0.90 BRD4 (0.46) BRD4POLBSMN1; SMN2F10ATM
SCHEMBL14127768 0.82 BRD4 (0.46) BRD4POLBSMN1; SMN2F10ATM
SCHEMBL9631574 0.81 NPSR1 (0.36) POLBSMN1; SMN2CYP2C19CYP3A4MEN1
SCHEMBL19766 0.79 POLB (0.42) BRD4POLBSMN1; SMN2ATMMEN1
SCHEMBL13309202 0.78 BRD4 (0.37) BRD4POLBSMN1; SMN2CYP2C19CYP3A4
SCHEMBL265557 0.78 SMN1; SMN2 (0.45) BRD4POLBSMN1; SMN2F10ATM
SCHEMBL60903 0.78 BRD4 (0.41) BRD4POLBSMN1; SMN2ATMMEN1
SCHEMBL1543581 0.76 SMN1; SMN2 (0.38) BRD4POLBSMN1; SMN2CYP2C19CYP3A4
SCHEMBL2287208 0.76 BRD4 (0.41) BRD4POLBSMN1; SMN2ATMMEN1
SCHEMBL16541489 0.76 BRD4 (0.41) BRD4POLBSMN1; SMN2ATMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160193216-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2016-07-07 US disclosed
US-20160193216-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2016-07-07 US disclosed
US-9212190-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2015-12-15 US disclosed
US-9212190-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2015-12-15 US disclosed
US-20130231328-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2013-09-05 US disclosed
US-20130231328-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2013-09-05 US disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
WO-2009153720-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 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 (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-20160193216-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 BRD4 56/4885POLB 2535/4885SMN1; SMN2 2457/4885
US-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 BRD4 432/4885POLB 1927/4885SMN1; SMN2 1659/4885
US-20130231328-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 BRD4 56/4885POLB 2535/4885SMN1; SMN2 2457/4885

“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.