SCHEMBL17773161

SCHEMBL17773161

CC(C)(C)C(=O)c1cccc(-c2ccco2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.67
KAT6A Q92794 4/20 0.51
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
HDAC2 Q92769 1/20 0.43
ERN1 O75460 1/20 0.41
SLC6A4 P31645 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.39
LCLAT1 Q6UWP7 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 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
SCHEMBL17777307 0.82 KEAP1 (0.73) KEAP1KAT6AALDH1A1POLBMEN1
SCHEMBL27605185 0.82 KEAP1 (0.77) KEAP1KAT6AKDM4EALDH1A1POLB
SCHEMBL13876039 0.81 KEAP1 (0.47) KEAP1KAT6AKDM4EALDH1A1POLB
SCHEMBL941410 0.80 KEAP1 (1.00) KEAP1KAT6AKDM4EALDH1A1POLB
SCHEMBL4993759 0.79 KEAP1 (0.73) KEAP1KAT6APRMT6HDAC2ERN1
SCHEMBL12250927 0.77 KEAP1 (0.57) KEAP1KAT6AKDM4EALDH1A1POLB
SCHEMBL17773149 0.77 ALDH1A1 (0.48) KEAP1KDM4EALDH1A1POLBMEN1
SCHEMBL17773171 0.77 GABRA1 (0.46) KEAP1KDM4EALDH1A1POLBMEN1
SCHEMBL14226740 0.76 KMO (0.60) KAT6ATDP1RXRARXRB
SCHEMBL28990328 0.76 KEAP1 (0.69) KEAP1KAT6APOLBPRMT6HDAC2

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-10662183-B2 Inhibitors of myocardin-related transcription factor and serum response factor (MRTF/SRF)-mediated gene transcription and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-05-26 US disclosed
US-20160145251-A1 INHIBITORS OF MYOCARDIN-RELATED TRANSCRIPTION FACTOR AND SERUM RESPONSE FACTOR (MRTF/SRF)-MEDIATED GENE TRANSCRIPTION AND METHODS FOR USE OF THE SAME BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2016-05-26 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 (2 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-20160145251-A1 INHIBITORS OF MYOCARDIN-RELATED TRANSCRIPTION FACTOR AND SERUM RESPONSE FACTOR (MRTF/SRF)-MEDIATED GENE TRANSCRIPTION AND METHODS FOR USE OF THE SAME SREBF1, SREBF2, BPTF KEAP1 865/4885KAT6A 292/4885KDM4E 1489/4885
US-10662183-B2 Inhibitors of myocardin-related transcription factor and serum response factor (MRTF/SRF)-mediated gene transcription and methods for use of the same SREBF1, SREBF2, BPTF KEAP1 865/4885KAT6A 292/4885KDM4E 1489/4885

“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.