SCHEMBL5504688

SCHEMBL5504688

O=C(CCCCCCl)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.68
HDAC8 Q9BY41 2/20 0.68
MMP1 P03956 1/20 0.55
PTPN1 P18031 2/20 0.54
GSK3B P49841 1/20 0.54
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MMP2 P08253 1/20 0.47
MMP8 P22894 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL5504693 1.00 HDAC1 (0.68) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL5508790 0.98 HDAC1 (0.65) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL5509133 0.93 HDAC1 (0.62) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL4100412 0.85 HDAC1 (0.69) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL739090 0.85 HDAC1 (0.69) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL4259306 0.85 HDAC1 (0.69) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL3381534 0.85 HDAC1 (0.69) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL5849457 0.85 HDAC1 (0.69) HDAC1HDAC8MMP1PTPN1GSK3B
SCHEMBL11873561 0.83 NPC1 (0.51) HDAC1HDAC8L3MBTL1MAPTLMNA
SCHEMBL739420 0.83 HDAC1 (0.68) HDAC1HDAC8MMP1PTPN1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828161-A2 PHENYLPIPERAZINES WITH A COMBINATION OF AFFINITY FOR DOPAMINE -D2 RECEPTORS AND SEROTONIN REUPTAKE SITES Solvay Pharmaceuticals B.V. (NL) 2007-09-05 EP disclosed
WO-2006061372-A2 PHENYLPIPERAZINES WITH A COMBINATION OF AFFINITY FOR DOPAMINE -D2 RECEPTORS AND SEROTONIN REUPTAKE SITES SOLVAY PHARMACEUTICALS B.V. (NL) 2006-06-15 WO disclosed
US-20060122177-A1 Phenylpiperazines with a combination of affinity for dopamine-D2 receptors and serotonin reuptake sites SOLVAY PHARMACEUTICALS B.V. 2006-06-08 US 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-20060122177-A1 Phenylpiperazines with a combination of affinity for dopamine-D2 receptors and serotonin reuptake sites HTR2A, HTR2C, HTR5A HDAC1 3211/4885HDAC8 4093/4885MMP1 4609/4885

“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.