SCHEMBL16722809

SCHEMBL16722809

CC(C)(C)C(=O)c1ccccc1-c1ccccc1C(=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HBB P68871 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ELANE P08246 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MYC P01106 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
BCAT2 O15382 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL15445468 0.90 ELANE (0.47) ALDH1A1HBBHSD17B10ELANEKDM4E
SCHEMBL13543201 0.87 BCAT2 (0.59) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL5058742 0.83 ALDH1A1 (0.45) ALDH1A1HBBHSD17B10ELANEKDM4E
SCHEMBL5951641 0.82 CYP2C19 (0.39) ALDH1A1HBBHSD17B10ELANEKDM4E
SCHEMBL17448835 0.82 HCRTR2 (0.43) KDM4EKMT2AMAPK1L3MBTL1
SCHEMBL12083366 0.81 KDM4E (0.54) ALDH1A1HSD17B10KDM4EALOX15KMT2A
SCHEMBL5079740 0.81 PDK2 (0.42) ALDH1A1ELANEKDM4EALOX15KMT2A
SCHEMBL16470694 0.81 ELANE (0.41) ALDH1A1HBBHSD17B10ELANEKDM4E
SCHEMBL7949878 0.81 HPGD (0.47) ALDH1A1HSD17B10ELANEKDM4EKMT2A
SCHEMBL5847579 0.81 ALDH1A1 (0.64) ALDH1A1KDM4EALOX15KMT2AMAPT

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-9593197-B2 Trigger-responsive chain-shattering polymers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-03-14 US disclosed
US-20150141453-A1 Trigger-Responsive Chain-Shattering Polymers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-05-21 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-20150141453-A1 Trigger-Responsive Chain-Shattering Polymers SGTA, FUS, EWSR1 ALDH1A1 4343/4885HBB 1099/4885HSD17B10 2293/4885

“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.