SCHEMBL559537

SCHEMBL559537

COC(=O)c1ccc(Cl)c(OCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.58
HPGD P15428 5/20 0.58
LMNA P02545 2/20 0.58
HDAC8 Q9BY41 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HDAC6 Q9UBN7 2/20 0.55
SMPD1 P17405 1/20 0.55
HDAC1 Q13547 1/20 0.55
MRGPRX4 Q96LA9 3/20 0.54
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TP53 P04637 2/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL3231604 0.89 MRGPRX4 (0.63) HPGDLMNAHDAC8ALDH1A1KDM4E
SCHEMBL20830739 0.87 HPGD (0.57) NOTUMHPGDLMNAHDAC8ALDH1A1
SCHEMBL3245222 0.87 SMPD1 (0.67) HPGDLMNAHDAC8KDM4ERXRA
SCHEMBL17565747 0.86 HDAC8 (0.57) HPGDLMNAHDAC8ALDH1A1RXRA
SCHEMBL1934576 0.85 HPGD (0.70) HPGDHDAC8RXRARXRBMRGPRX4
SCHEMBL31241237 0.84 LMNA (0.59) NOTUMHPGDLMNAHDAC8KDM4E
SCHEMBL16929834 0.84 LMNA (0.59) NOTUMHPGDLMNAHDAC8KDM4E
SCHEMBL2063068 0.84 SMN1; SMN2 (0.73) HPGDLMNAHDAC8ALDH1A1KDM4E
SCHEMBL21588079 0.84 HPGD (0.68) HPGDLMNAHDAC8KDM4ERXRA
SCHEMBL2188210 0.84 SMPD1 (0.76) HPGDLMNAHDAC8ALDH1A1KDM4E

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
US-8344028-B2 Gamma-amino-butyric acid derivatives as GABAB receptor ligands XENOPORT, INC. (US) 2013-01-01 US disclosed
EP-2419401-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAb RECEPTOR LIGANDS XenoPort, Inc. (US) 2012-02-22 EP disclosed
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2012-02-09 US disclosed
US-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2010-10-21 US disclosed
WO-2010120370-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. (US) 2010-10-21 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 (2 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-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 NOTUM 2550/4885HPGD 1690/4885LMNA 3900/4885
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 NOTUM 2550/4885HPGD 1690/4885LMNA 3900/4885

“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.