SCHEMBL5371385

SCHEMBL5371385

c1ccc(CC[C](Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.56
ALDH1A1 P00352 3/20 0.53
FFAR1 O14842 1/20 0.52
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
AKR1B1 P15121 1/20 0.48
HDAC1 Q13547 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46

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
SCHEMBL7392796 0.95 KEAP1 (0.56) KEAP1ALDH1A1FFAR1TDP1L3MBTL1
SCHEMBL9224374 0.89 FNTA (0.57) KEAP1ALDH1A1FFAR1TDP1L3MBTL1
SCHEMBL8166683 0.87 KEAP1 (0.48) KEAP1ALDH1A1FFAR1TDP1L3MBTL1
SCHEMBL7395237 0.87 HDAC1 (0.55) KEAP1ALDH1A1FFAR1TDP1L3MBTL1
SCHEMBL7393301 0.82 ALDH1A1 (0.46) KEAP1ALDH1A1FFAR1TDP1L3MBTL1
SCHEMBL4981463 0.81 CES1 (0.60) ALDH1A1TDP1L3MBTL1HDAC8HDAC6
SCHEMBL10685859 0.80 KEAP1 (0.56) KEAP1ALDH1A1FFAR1TDP1L3MBTL1
SCHEMBL8668103 0.78 CES2 (0.46) ALDH1A1TDP1L3MBTL1HDAC8HDAC6
SCHEMBL9427231 0.78 ALDH1A1 (0.56) KEAP1ALDH1A1FFAR1TDP1L3MBTL1
SCHEMBL6472972 0.78 KEAP1 (0.54) KEAP1ALDH1A1FFAR1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235688-B1 Process for preparing histone deacetylase inhibitors and intermediates thereof UNIVERSITY OF NOTRE DAME DU LAC (US) 2007-06-26 US disclosed
US-20070021612-A1 Processes and compounds for preparing histone deacetylase inhibitors and intermediates thereof UNIVERSITY OF NOTRE DAME DU LAC (US) 2007-01-25 US disclosed
US-20030203959-A1 Novel modulators of potassium channels 4SC AG (DE) 2003-10-30 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-20030203959-A1 Novel modulators of potassium channels HCN3, KCNN3, KCNN1 KEAP1 1445/4885ALDH1A1 1220/4885FFAR1 193/4885
US-20070021612-A1 Processes and compounds for preparing histone deacetylase inhibitors and intermediates thereof HDAC1, HDAC11, HDAC2 KEAP1 1119/4885ALDH1A1 674/4885FFAR1 1192/4885

“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.