SCHEMBL4810246

SCHEMBL4810246

Cc1ccc(C2(C(=O)Cl)CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
HTR1E P28566 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
S1PR3 Q99500 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD11B1 P28845 3/20 0.45
HDAC4 P56524 5/20 0.45
AKR1C1 Q04828 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
OPRM1 P35372 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 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
SCHEMBL11282279 0.98 MAPT (0.48) MAPTHTR1ENPSR1S1PR3ALDH1A1
SCHEMBL1031046 0.90 HSD11B1 (0.44) MAPTHTR1ENPSR1S1PR3ALDH1A1
SCHEMBL3821416 0.83 AKR1C1 (0.66) MAPTHTR1ENPSR1S1PR3ALDH1A1
SCHEMBL4805246 0.83 HDAC4 (0.64) MAPTNPSR1ALDH1A1SMN1; SMN2HSD11B1
SCHEMBL2860893 0.83 AKR1C1 (0.66) MAPTHTR1ENPSR1S1PR3ALDH1A1
SCHEMBL4992446 0.81 LMNA (0.59) MAPTHTR1ENPSR1S1PR3ALDH1A1
SCHEMBL4804303 0.81 HDAC1 (0.51) ALDH1A1HSD11B1HDAC4AKR1C1HPGD
SCHEMBL4809604 0.81 HSD11B1 (0.51) MAPTALDH1A1SMN1; SMN2HSD11B1HDAC4
SCHEMBL1061631 0.81 AKR1C1 (0.68) NPSR1ALDH1A1SMN1; SMN2HSD11B1HDAC4
SCHEMBL2443314 0.81 MAPT (0.49) MAPTHTR1ENPSR1S1PR3ALDH1A1

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-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 MAPT 1992/4885HTR1E 3429/4885NPSR1 4397/4885

“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.