SCHEMBL6568009

SCHEMBL6568009

CCC(=O)c1cc(N)ccc1OCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.45
GLA P06280 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
ABCC3 O15438 1/20 0.44
PLIN1 O60240 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
GSTA1 P08263 1/20 0.44
GSTP1 P09211 1/20 0.44
MAPT P10636 1/20 0.44
HSPD1 P10809 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
MAP2K6 P52564 1/20 0.44
HSPE1 P61604 1/20 0.44

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
SCHEMBL22419890 0.81 ALDH1A1 (0.53) MEN1KMT2AL3MBTL1ALDH1A1TSHR
SCHEMBL6566640 0.81 ALDH1A1 (0.58) ALDH1A1MAPTHIF1ANPSR1SMN1; SMN2
SCHEMBL6565669 0.81 HTR2A (0.41) PTGDR2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL8905331 0.79 PTGDR2 (0.66) PTGDR2MEN1KMT2AL3MBTL1GLA
SCHEMBL6564598 0.78 SMN1; SMN2 (0.48) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6567890 0.78 CFD (0.46) ALDH1A1TSHRLMNACYP2C9HTT
SCHEMBL27482498 0.78 BRD4 (0.49) L3MBTL1ALDH1A1TSHRLMNATP53
SCHEMBL10816768 0.78 PTGDR2 (0.60) PTGDR2L3MBTL1GLATSHRTDP1
SCHEMBL7823764 0.78 L3MBTL1 (0.64) PTGDR2MEN1KMT2AL3MBTL1GLA
SCHEMBL6565808 0.77 KMT2A (0.46) MEN1KMT2AALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 EP 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 PTGDR2 620/4885MEN1 4143/4885KMT2A 3137/4885

“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.