SCHEMBL4814166

SCHEMBL4814166

COC(=O)c1ccc(C2(C(=O)Cl)CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
NPSR1 Q6W5P4 3/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL4804774 0.86 AKR1C1 (0.56) SMN1; SMN2NPSR1GAALMNANPC1
SCHEMBL4808264 0.84 CA12 (0.49) SMN1; SMN2NPSR1GAALMNANPC1
SCHEMBL4806678 0.84 SMN1; SMN2 (0.42) SMN1; SMN2NPSR1GAALMNATDP1
SCHEMBL20703721 0.81 AKR1C1 (0.53) SMN1; SMN2NPSR1GAALMNARAB9A
SCHEMBL4807202 0.81 CYP3A4 (0.56) SMN1; SMN2NPSR1GAALMNATDP1
SCHEMBL4817363 0.80 AKR1C1 (0.47) SMN1; SMN2MEN1KMT2AHDAC4TSHR
SCHEMBL2701019 0.80 SMN1; SMN2 (0.45) SMN1; SMN2NPSR1GAALMNATDP1
SCHEMBL4809825 0.80 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1GAALMNANPC1
SCHEMBL17321811 0.79 NPC1 (0.48) SMN1; SMN2LMNANPC1RAB9AHTT
SCHEMBL14667564 0.79 CA1 (0.48) SMN1; SMN2LMNANPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465719-B2 Carbamic acid compounds comprising an ester or ketone linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2008-12-16 US disclosed
US-7465719-B2 Carbamic acid compounds comprising an ester or ketone linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2008-12-16 US disclosed
US-7465719-B2 Carbamic acid compounds comprising an ester or ketone linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2008-12-16 US disclosed
US-20060058282-A1 Carbamic acid compounds comprising an ester or ketone linkage as hdac inhibitors TOPOTARGET UK LIMITED (GB) 2006-03-16 US disclosed
EP-1583736-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS TopoTarget UK Limited (GB) 2005-10-12 EP disclosed
WO-2004065354-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2004-08-05 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-20060058282-A1 Carbamic acid compounds comprising an ester or ketone linkage as hdac inhibitors HDAC1, HDAC7, HDAC11 SMN1; SMN2 4503/4885NPSR1 4397/4885GAA 1695/4885

“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.