SCHEMBL744065

SCHEMBL744065

COC(=O)Nc1ccc2c(c1)C(=O)CC1(CCNCC1)O2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.56
HDAC4 P56524 10/20 0.56
HDAC1 Q13547 10/20 0.56
HDAC7 Q8WUI4 10/20 0.56
HDAC2 Q92769 10/20 0.56
HDAC10 Q969S8 10/20 0.56
HDAC11 Q96DB2 10/20 0.56
HDAC8 Q9BY41 10/20 0.56
HDAC6 Q9UBN7 10/20 0.56
HDAC9 Q9UKV0 10/20 0.56
HDAC5 Q9UQL6 10/20 0.56
KDM4E B2RXH2 4/20 0.46
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL1811484 0.88 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15178391 0.87 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL4278683 0.86 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL731330 0.84 KMT2A (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7849568 0.84 ALDH1A1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4263503 0.81 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL4512003 0.81 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL731390 0.80 KMT2A (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7845320 0.79 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL267585 0.79 ADRA1D (0.56) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 HDAC3 107/4885HDAC4 948/4885HDAC1 322/4885

“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.