SCHEMBL4804774

SCHEMBL4804774

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.56
TSHR P16473 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46

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
SCHEMBL20703721 0.95 AKR1C1 (0.53) AKR1C1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL4814166 0.86 SMN1; SMN2 (0.47) TSHRMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL21874049 0.84 TSHR (0.44) AKR1C1TSHRMEN1KMT2ATDP1
SCHEMBL4804658 0.83 AKR1C1 (0.51) AKR1C1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL4813998 0.83 AKR1C1 (0.51) AKR1C1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL2701019 0.81 SMN1; SMN2 (0.45) TSHRMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL23920042 0.81 AKR1C1 (0.66) AKR1C1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL27095683 0.81 AKR1C1 (0.66) AKR1C1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL4809825 0.81 SMN1; SMN2 (0.43) MEN1KMT2ASMN1; SMN2NPSR1LMNA
SCHEMBL21874269 0.80 KMT2A (0.63) AKR1C1TSHRMEN1KMT2ASMN1; SMN2

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 AKR1C1 211/4885TSHR 4107/4885MEN1 3250/4885

“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.