SCHEMBL10247034

SCHEMBL10247034

O=C(NOC1CCCCO1)c1ccc2c(c1)CCCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.53
GSTP1 P09211 1/20 0.45
GSTM2 P28161 1/20 0.45
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HDAC6 Q9UBN7 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HPGD P15428 1/20 0.41
P2RX3 P56373 1/20 0.41
KDM2B Q8NHM5 2/20 0.39
TAOK3 Q9H2K8 1/20 0.39

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
SCHEMBL1025073 0.86 F2 (0.43) SMYD3GSTP1GSTM2HDAC6P2RX3
SCHEMBL1026878 0.86 MELK (0.42) SMYD3GSTP1GSTM2HDAC6P2RX3
SCHEMBL2282073 0.85 GSTP1 (0.43) SMYD3GSTP1GSTM2NPC1RAB9A
SCHEMBL2279778 0.84 HDAC6 (0.48) GSTP1GSTM2HDAC6
SCHEMBL2278277 0.84 HDAC6 (0.44) GSTP1GSTM2HDAC6
SCHEMBL30985329 0.83 SMYD3 (0.48) SMYD3NPC1RAB9AKMT2AHDAC6
SCHEMBL2273673 0.83 HDAC6 (0.61) SMYD3GSTP1GSTM2ALDH1A1HDAC6
SCHEMBL2278219 0.82 HDAC6 (0.62) GSTP1GSTM2ALDH1A1HDAC6MAPT
SCHEMBL1027650 0.82 HDAC6 (0.47) SMYD3GSTP1GSTM2HDAC6
SCHEMBL1026122 0.82 HDAC6 (0.43) SMYD3GSTP1GSTM2NPC1RAB9A

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-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 SMYD3 1825/4885GSTP1 4486/4885GSTM2 4023/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 SMYD3 981/4885GSTP1 4130/4885GSTM2 3851/4885

“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.