SCHEMBL5313124

SCHEMBL5313124

CCOC(=O)CCCCCCC(=O)N1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.60
RAB9A P51151 2/20 0.60
TSHR P16473 3/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 3/20 0.51
GNAI3 P08754 6/20 0.50
GNAI1 P63096 6/20 0.50
GNAO1 P09471 5/20 0.50
NAMPT P43490 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.43
GLA P06280 1/20 0.42
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL20442603 0.95 L3MBTL1 (0.66) L3MBTL1RAB9ATSHRLMNAPOLB
SCHEMBL14905948 0.89 TSHR (0.66) L3MBTL1RAB9ATSHRLMNAPOLB
Hydrochloric Acid SCHEMBL15987604 0.87 TSHR (0.64) L3MBTL1RAB9ATSHRLMNAPOLB
SCHEMBL30983344 0.84 GLA (0.59) L3MBTL1TSHRLMNAALDH1A1GNAI3
SCHEMBL31329295 0.83 L3MBTL1 (0.67) L3MBTL1RAB9ATSHRLMNAPOLB
SCHEMBL9415827 0.83 GNAI3 (0.56) L3MBTL1GNAI3GNAI1GNAO1TDP1
SCHEMBL9415769 0.83 GNAI3 (0.56) L3MBTL1GNAI3GNAI1GNAO1TDP1
SCHEMBL16756662 0.83 GNAI3 (0.56) L3MBTL1GNAI3GNAI1GNAO1TDP1
SCHEMBL10337915 0.83 GNAI3 (0.56) L3MBTL1GNAI3GNAI1GNAO1TDP1
SCHEMBL3601270 0.82 GNAI3 (0.69) L3MBTL1POLBGNAI3GNAI1GNAO1

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
WO-2007045962-A2 NOVEL HDAC INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-26 WO disclosed
WO-2007045962-A2 NOVEL HDAC INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-26 WO disclosed
US-20070088043-A1 Novel HDAC inhibitors ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-04-19 US disclosed
US-20070088043-A1 Novel HDAC inhibitors ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-04-19 US disclosed
US-20070088043-A1 Novel HDAC inhibitors ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-04-19 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 (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-20070088043-A1 Novel HDAC inhibitors HDAC1, HDAC11, HDAC5 L3MBTL1 2981/4885RAB9A 3279/4885TSHR 3776/4885

“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.