SCHEMBL801225

SCHEMBL801225

CC(C)c1ccc(OCc2nccs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.50
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A3 Q01959 2/20 0.41
NPC1 O15118 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRPM8 Q7Z2W7 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
IDO1 P14902 2/20 0.40
RECQL P46063 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LTA4H P09960 1/20 0.38

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
SCHEMBL15472320 0.85 ACACA (0.44) ACACBMEN1KMT2AMRGPRX4ALDH1A1
SCHEMBL6795023 0.81 CYP2C19 (0.48) ACACBMEN1KMT2ARAB9AL3MBTL1
SCHEMBL16994919 0.81 TRPM8 (0.55) ACACBMEN1KMT2ASLC6A3NPC1
SCHEMBL28758405 0.81 MAPT (0.49) ACACBMEN1KMT2ASLC6A3NPC1
SCHEMBL22967554 0.80 ACACB (0.50) ACACBKMT2ANPC1RAB9ATRPM8
SCHEMBL13900993 0.80 EGFR (0.42) ACACBKMT2ASLC6A3NPC1KDM4E
SCHEMBL21024526 0.79 ACACB (0.51) ACACBRXRARXRBKMT2ANPC1
SCHEMBL13950793 0.78 SLC6A3 (0.40) ACACBKMT2ASLC6A3NPC1KDM4E
SCHEMBL805346 0.78 RAB9A (0.49) ACACBSLC6A3NPC1RAB9APOLB
SCHEMBL21340753 0.77 APP (0.47) ACACBNPC1RAB9ATRPM8ALDH1A1

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-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-03-22 US disclosed
US-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-03-22 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-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS PDF, EIF5B, EIF4E ACACB 3078/4885RXRA 4691/4885RXRB 4649/4885

“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.