SCHEMBL18759751

SCHEMBL18759751

CC(=O)C1(C2(C(C)=O)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
APEX1 P27695 1/20 0.44
PDK2 Q15119 7/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
ITGA4 P13612 1/20 0.42
KMT2A Q03164 2/20 0.41
APAF1 O14727 2/20 0.39
TDP2 O95551 2/20 0.39
NSD2 O96028 2/20 0.39
RECQL P46063 2/20 0.39
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.39
BLM P54132 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
S100A4 P26447 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
HTT P42858 1/20 0.37

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
SCHEMBL406841 0.79 THRB (0.65) THRBTDP1APEX1PDK2ALDH1A1
SCHEMBL18748393 0.78 THRB (0.37) THRBTDP1APEX1PDK2ALDH1A1
SCHEMBL15691557 0.78 THRB (0.64) THRBTDP1APEX1PDK2ALDH1A1
SCHEMBL18748396 0.77 THRB (0.47) THRBTDP1APEX1PDK2ALDH1A1
SCHEMBL14026066 0.76 ALDH1A1 (0.50) THRBTDP1APEX1PDK2ALDH1A1
SCHEMBL24355593 0.71 THRB (0.45) THRBTDP1APEX1PDK2ALDH1A1
SCHEMBL18759744 0.71 PDK2 (0.52) THRBTDP1APEX1PDK2
SCHEMBL2687407 0.70 MAPT (0.41) THRBTDP1APEX1PDK2ALDH1A1
SCHEMBL17050231 0.70 ALDH1A1 (0.45) THRBTDP1APEX1PDK2ALDH1A1
SCHEMBL18748397 0.70 PDK2 (0.46) THRBTDP1PDK2

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-9682060-B2 Small molecules that induce intrinsic pathway apoptosis THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-06-20 US disclosed
US-20170105963-A1 SMALL MOLECULES THAT INDUCE INTRINSIC PATHWAYS APOPTOSIS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-04-20 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-20170105963-A1 SMALL MOLECULES THAT INDUCE INTRINSIC PATHWAYS APOPTOSIS AIFM1, VDAC1, AFG3L2 THRB 3138/4885TDP1 4180/4885APEX1 2860/4885

“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.