SCHEMBL6076034

SCHEMBL6076034

O=C(O)CCCC(=O)c1cc(Cl)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
LMNA P02545 4/20 0.58
HTT P42858 4/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 3/20 0.58
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
USP2 O75604 1/20 0.58
TP53 P04637 1/20 0.58
ALOX15 P16050 1/20 0.58
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58
KDM4E B2RXH2 2/20 0.51
KCNH2 Q12809 2/20 0.51
PLA2G1B P04054 1/20 0.51

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
SCHEMBL11804367 0.93 CA1 (0.62) CA1CA2LMNAHTTMEN1
SCHEMBL2935246 0.91 CA1 (0.61) CA1CA2LMNAHTTMEN1
SCHEMBL8574123 0.86 CA1 (0.55) CA1CA2LMNAHTTMEN1
SCHEMBL4622607 0.85 HTT (0.51) CA1CA2LMNAHTTMEN1
SCHEMBL8712803 0.85 HTT (0.54) CA1CA2LMNAHTTMEN1
SCHEMBL9115251 0.83 LMNA (0.55) CA1CA2LMNAHTTMEN1
SCHEMBL5081080 0.83 ERCC5 (0.58) LMNAMAPTHPGDSMN1; SMN2RAB9A
SCHEMBL31661827 0.83 ERCC5 (0.58) LMNAMAPTHPGDSMN1; SMN2RAB9A
SCHEMBL8569762 0.82 LMNA (0.54) CA1CA2LMNAHTTMEN1
SCHEMBL11295651 0.82 HTT (0.56) CA1CA2LMNAHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098212-B2 Piperazine derivatives BLUMBERG LAURA C 2006-08-29 US disclosed
EP-1583533-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS Pfizer Products Inc. (US) 2005-10-12 EP disclosed
EP-1438298-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY Pfizer Products Inc. (US) 2004-07-21 EP disclosed
US-20040092529-A1 Methods of using piperazine derivatives PFIZER INC 2004-05-13 US disclosed
WO-2004039376-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2004-05-13 WO disclosed
US-20040034034-A1 Novel piperazine derivatives BLUMBERG LAURA C (US) 2004-02-19 US disclosed
WO-2003035627-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY PFIZER PRODUCTS INC. (US) 2003-05-01 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-20040092529-A1 Methods of using piperazine derivatives CCR1, CCR3, CCR5 CA1 2079/4885CA2 1511/4885LMNA 2989/4885
US-20040034034-A1 Novel piperazine derivatives CCR1, CCRL2, CCR5 CA1 3361/4885CA2 2332/4885LMNA 3878/4885

“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.