SCHEMBL4568356

SCHEMBL4568356

CC(C)(C)OC(=O)Nc1cc(C2CC2)ccc1CC(O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.36
CCR2 P41597 3/20 0.35
AAK1 Q2M2I8 2/20 0.35
MGLL Q99685 1/20 0.34
KDM1A O60341 2/20 0.33
MAOB P27338 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NAMPT P43490 1/20 0.33
PDE4B Q07343 1/20 0.32
RORC P51449 1/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
CREBBP Q92793 1/20 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
SCHEMBL10180178 0.86 POLQ (0.36) DGAT1MGLLHDAC3HDAC1HDAC2
SCHEMBL4568352 0.78 LMNA (0.47) DGAT1HDAC3HDAC1HDAC2LMNA
SCHEMBL4568364 0.78 POLQ (0.39) KDM1AMAOBNAMPTBRD4
SCHEMBL30118378 0.74 AAK1 (0.51) DGAT1AAK1HDAC3HDAC1HDAC2
SCHEMBL5868762 0.74 AAK1 (0.51) DGAT1AAK1HDAC3HDAC1HDAC2
SCHEMBL9610075 0.74 DGAT1 (0.42) DGAT1AAK1RORCBRD4BRD2
SCHEMBL8762406 0.74 ALDH1A1 (0.41)
SCHEMBL3703752 0.72 NOS3 (0.33) MGLLHDAC3HDAC1HDAC2LMNA
SCHEMBL5868887 0.71 NPC1 (0.42) NPSR1
SCHEMBL3697288 0.70 POLQ (0.37) MGLLPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R DGAT1 875/4885CCR2 599/4885AAK1 2108/4885

“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.