SCHEMBL1233162

SCHEMBL1233162

CCN(C(=O)CCCCCCC(=O)OC)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
TSHR P16473 3/20 0.51
KDM4E B2RXH2 2/20 0.51
SIGMAR1 Q99720 3/20 0.48
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CNR2 P34972 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
CNR1 P21554 1/20 0.45
KMT2A Q03164 1/20 0.44
PPARG P37231 2/20 0.42
PPARA Q07869 1/20 0.42
MAPT P10636 2/20 0.41
CDYL Q9Y232 1/20 0.41
HPGD P15428 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
Hydrochloric Acid SCHEMBL7573310 0.81 SIGMAR1 (0.57) ALDH1A1TSHRKDM4ESIGMAR1LMNA
SCHEMBL1231572 0.80 ALDH1A1 (0.48) ALDH1A1KDM4ELMNANPSR1CYP1A2
SCHEMBL1232694 0.78 ALDH1A1 (0.49) ALDH1A1KDM4ELMNANPSR1CYP1A2
SCHEMBL28789110 0.76 CYP1A2 (0.52) ALDH1A1CNR2L3MBTL1CYP1A2CYP2C19
SCHEMBL8966581 0.74 SIGMAR1 (0.56) ALDH1A1TSHRKDM4ESIGMAR1LMNA
SCHEMBL9364998 0.74 CNR2 (0.43) ALDH1A1CNR2CYP1A2CYP2C19CNR1
SCHEMBL2503499 0.73 TNF (0.50) ALDH1A1TSHRKDM4ESIGMAR1LMNA
SCHEMBL3255855 0.73 SIGMAR1 (0.62) ALDH1A1TSHRKDM4ESIGMAR1LMNA
SCHEMBL1567112 0.73 SIGMAR1 (0.62) ALDH1A1TSHRKDM4ESIGMAR1LMNA
SCHEMBL3807502 0.73 SIGMAR1 (0.62) ALDH1A1TSHRKDM4ESIGMAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2011-05-05 US disclosed
US-7880020-B2 e.g trichlorostatin A; antiproliferative agent; for treating cancer and psoriasis TOPOTARGET UK LIMITED (GB) 2011-02-01 US disclosed
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-09-30 US disclosed
US-7569724-B2 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-08-04 US disclosed
EP-2083005-A1 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2009-07-29 EP disclosed
EP-1598067-A1 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2005-11-23 EP disclosed
US-20040092598-A1 Carbamic acid compounds comprising an amide linkage as hdac inhibitors TOPOTARGET UK LIMITED (GB) 2004-05-13 US disclosed
EP-1335898-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS Prolifix Limited (GB) 2003-08-20 EP disclosed
WO-2002026696-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS PROLIFIX LIMITED (GB) 2002-04-04 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 (3 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-20040092598-A1 Carbamic acid compounds comprising an amide linkage as hdac inhibitors HDAC1, HDAC11, HDAC3 ALDH1A1 1157/4885TSHR 2954/4885KDM4E 122/4885
US-20110105572-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC7, HDAC5 ALDH1A1 692/4885TSHR 2210/4885KDM4E 68/4885
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 ALDH1A1 727/4885TSHR 2764/4885KDM4E 129/4885

“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.