SCHEMBL10241685

SCHEMBL10241685

CCCC(CCC)C(=O)N[C@@H](CO)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
BIRC2 Q13490 6/20 0.45
MME P08473 4/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TGFBR1 P36897 1/20 0.41
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL28415536 0.81 MME (0.56) HDAC8HDAC7HDAC6HDAC9HDAC5
SCHEMBL10241691 0.81 MME (0.56) HDAC8HDAC7HDAC6HDAC9HDAC5
SCHEMBL13820324 0.81 HDAC8 (0.50) HDAC8HDAC7HDAC6HDAC9HDAC5
SCHEMBL2976939 0.80 HDAC8 (0.42) HDAC8HDAC7HDAC6HDAC9HDAC5
SCHEMBL2976937 0.80 HDAC8 (0.42) HDAC8HDAC7HDAC6HDAC9HDAC5
SCHEMBL8372310 0.78 BIRC2 (0.59) HDAC8HDAC7HDAC6HDAC9HDAC5
SCHEMBL8372311 0.78 BIRC2 (0.59) HDAC8HDAC7HDAC6HDAC9HDAC5
SCHEMBL13380097 0.77 MME (0.53) BIRC2MMETGFBR1ALDH1A1THRB
SCHEMBL7327700 0.77 MME (0.53) BIRC2MMETGFBR1ALDH1A1THRB
SCHEMBL31754261 0.77 DPP7 (0.53) BIRC2CA1CA2

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-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS, LLC (US) 2012-11-15 US disclosed
US-8173840-B2 Compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-08 US disclosed
US-8173840-B2 Compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-08 US disclosed
WO-2007089745-A2 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R & D HOLDINGS, LLC (US) 2007-08-09 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 (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-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX IL4I1, SLC7A1, GOT1 HDAC8 501/4885HDAC7 575/4885HDAC6 242/4885

“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.