SCHEMBL5165789

SCHEMBL5165789

CCC(C)OC(=O)C(C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.40
FPR2 P25090 2/20 0.39
TP53 P04637 1/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.37
MMP8 P22894 1/20 0.37
LDHA P00338 1/20 0.37
ALOX5 P09917 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL11377804 0.86 MAPT (0.43) MAPTCYP1A2ALDH1A1
SCHEMBL4068945 0.86 MAPT (0.43) MAPTSMN1; SMN2ALDH1A1KMT2ARAB9A
SCHEMBL538763 0.86 MAPT (0.52) MAPTALDH1A1KMT2AMMP8
SCHEMBL1155256 0.85 POLB (0.44) MAPTCYP1A2KMT2A
SCHEMBL4281827 0.85 MAPT (0.43) MAPTCYP1A2KDM4ESMN1; SMN2ALDH1A1
Methane SCHEMBL11382581 0.84 MAPT (0.51) MAPTALDH1A1KMT2AMMP8
SCHEMBL290365 0.83 ALDH1A1 (0.43) MAPTKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL11623149 0.82 MAPT (0.41) MAPTALDH1A1RAB9AALOX5
SCHEMBL999787 0.81 MMP8 (0.55) MAPTCYP1A2ALDH1A1KMT2AMMP8
SCHEMBL11489097 0.80 MEN1 (0.38) MAPTKMT2ARAB9A

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-1768975-A2 PYRIDYL PIPERAZINES FOR THE TREATMENT OF CNS DISORDERS Pfizer Products Inc. (US) 2007-04-04 EP disclosed
US-20060025421-A1 Pyridyl piperazines for the treatment of CNS disorders PFIZER INC 2006-02-02 US disclosed
WO-2006000912-A2 PYRIDYL PIPERAZINES FOR THE TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2006-01-05 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-20060025421-A1 Pyridyl piperazines for the treatment of CNS disorders TPH2, HTR1A, TPH1 MAPT 1058/4885CYP1A2 45/4885FPR2 354/4885

“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.