SCHEMBL16696541

SCHEMBL16696541

CC(C)(C)OC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc3cccnc3c2O)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 6/20 0.66
ALDH1A1 P00352 4/20 0.60
ALOX12 P18054 4/20 0.60
KDM4E B2RXH2 3/20 0.60
MAPT P10636 3/20 0.60
LMNA P02545 3/20 0.60
ESR2 Q92731 2/20 0.60
MPI P34949 1/20 0.60
KMT2A Q03164 3/20 0.56
HSP90AA1 P07900 2/20 0.56
ATM Q13315 1/20 0.56
BRAF P15056 1/20 0.54
HTT P42858 2/20 0.52
TP53 P04637 2/20 0.52
ALOX15 P16050 2/20 0.52
MEN1 O00255 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP3A4 P08684 2/20 0.51
CYP3A5 P20815 2/20 0.51
RCE1 Q9Y256 1/20 0.45

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
SCHEMBL16696526 0.82 P4HB (0.80) P4HBALDH1A1ALOX12KDM4EMAPT
SCHEMBL15741399 0.82 P4HB (0.66) P4HBALDH1A1ALOX12KDM4EMAPT
SCHEMBL1700908 0.81 P4HB (0.98) P4HBALDH1A1ALOX12KDM4EMAPT
SCHEMBL31023808 0.79 MGLL (0.55) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL11895967 0.78 P4HB (0.80) P4HBALDH1A1ALOX12KDM4EMAPT
SCHEMBL1240268 0.74 P4HB (0.69) P4HBALDH1A1ALOX12KDM4EMAPT
SCHEMBL31023653 0.74 OPRD1 (0.51) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL1240900 0.73 ALDH1A1 (0.74) P4HBALDH1A1ALOX12KDM4EMAPT
SCHEMBL31023688 0.73 MGLL (0.55) ALDH1A1MAPTLMNACYP3A4CYP3A5
SCHEMBL16696588 0.72 KMT2A (0.80) P4HBALDH1A1ALOX12KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133450-A1 METHODS AND COMPOSITIONS USEFUL FOR TREATING DISEASES INVOLVING BCL-2 FAMILY PROTEINS WITH QUINOLINE DERIVATIVES EUTROPICS PHARMACEUTICALS INC (US) 2015-05-14 US claimed
US-20150133450-A1 METHODS AND COMPOSITIONS USEFUL FOR TREATING DISEASES INVOLVING BCL-2 FAMILY PROTEINS WITH QUINOLINE DERIVATIVES EUTROPICS PHARMACEUTICALS INC (US) 2015-05-14 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-20150133450-A1 METHODS AND COMPOSITIONS USEFUL FOR TREATING DISEASES INVOLVING BCL-2 FAMILY PROTEINS WITH QUINOLINE DERIVATIVES BCL3, BCL6, MCL1 P4HB 2154/4885ALDH1A1 4177/4885ALOX12 4004/4885

“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.