SCHEMBL12412397

SCHEMBL12412397

CC(C)c1cc(Cl)c2c(c1)OCCO2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
HDAC4 P56524 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LARS1 Q9P2J5 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
AOC3 Q16853 1/20 0.31
EIF4A3 P38919 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL12412391 0.85 MEN1 (0.38) MAPTSMN1; SMN2HTT
SCHEMBL13054420 0.79 GABRA1 (0.38) PTGS1PTGS2TP53MAPTSMN1; SMN2
SCHEMBL22607369 0.79 PTGS1 (0.38) PTGS1PTGS2TP53MAPTSMN1; SMN2
SCHEMBL13303318 0.78 GABRA1 (0.41) PTGS1PTGS2HDAC4HDAC2HDAC8
SCHEMBL26005534 0.78 PTGS1 (0.37) PTGS1PTGS2TP53MAPTSMN1; SMN2
SCHEMBL13085692 0.75 PLK1 (0.50) PTGS1PTGS2HDAC4HDAC8TP53
SCHEMBL17127617 0.75 PTGS1 (0.38) PTGS1PTGS2TP53MAPTSMN1; SMN2
SCHEMBL26014210 0.75 HDAC4 (0.33) HDAC4
SCHEMBL12505319 0.75 HDAC4 (0.38) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL21898596 0.74 PTGS1 (0.34) PTGS1PTGS2MAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 PTGS1 1743/4885PTGS2 2021/4885HDAC4 10/4885
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 PTGS1 1178/4885PTGS2 2947/4885HDAC4 934/4885

“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.