SCHEMBL733298

SCHEMBL733298

Cn1cc(-c2ccc3c(c2)C(=O)CC2(CCN(C(=O)O)CC2)O3)cn1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.50
HDAC4 P56524 9/20 0.50
HDAC1 Q13547 9/20 0.50
HDAC7 Q8WUI4 9/20 0.50
HDAC2 Q92769 9/20 0.50
HDAC10 Q969S8 9/20 0.50
HDAC11 Q96DB2 9/20 0.50
HDAC8 Q9BY41 9/20 0.50
HDAC6 Q9UBN7 9/20 0.50
HDAC9 Q9UKV0 9/20 0.50
HDAC5 Q9UQL6 9/20 0.50
EPHX2 P34913 2/20 0.50
EPHX1 P07099 1/20 0.50
CACNA1C Q13936 1/20 0.50
ACACB O00763 4/20 0.49
KMT2A Q03164 1/20 0.48
HSD11B1 P28845 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
SCHEMBL13522727 0.87 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL733004 0.86 KMT2A (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3493736 0.86 KMT2A (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL742195 0.84 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL732847 0.83 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL731142 0.81 KMT2A (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL826547 0.80 ACACB (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3495036 0.79 ACACB (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1501627 0.79 ACACB (0.57) ACACB
SCHEMBL1501599 0.79 ACACB (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307422-B1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS MSD KK (JP) 2014-03-26 EP disclosed
US-8524730-B2 Spirochromanone carboxylic acids MSD K.K. (JP) 2013-09-03 US disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-20110077262-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS MSD K.K. (JP) 2011-03-31 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 HDAC3 107/4885HDAC4 948/4885HDAC1 322/4885
US-20110077262-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS CNKSR1, CBR1, CBR3 HDAC3 518/4885HDAC4 2450/4885HDAC1 1091/4885

“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.