SCHEMBL3583794

SCHEMBL3583794

COc1cc(CCC(=O)O)cc(OC)c1OC1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc(C(=O)N4CCOCC4)ccc23)C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.35
LRRK2 Q5S007 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
GAA P10253 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL3597321 0.94 ALDH1A1 (0.35) ALDH1A1KDM4EPKMLRRK2LMNA
SCHEMBL3599436 0.91 BCHE (0.37) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL3600425 0.90 OPRK1 (0.39) LMNASMN1; SMN2MEN1KMT2ABCHE
SCHEMBL3581750 0.89 ACHE (0.35) KDM4ELMNASMN1; SMN2MEN1KMT2A
SCHEMBL3592305 0.89 ACHE (0.36) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL3590608 0.88 ACHE (0.37) MEN1KMT2ABCHEACHECNR2
SCHEMBL3602660 0.88 LMNA (0.39) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3599919 0.88 CPT1A (0.41) LMNASMN1; SMN2BCHEACHECNR2
SCHEMBL3587957 0.88 ACHE (0.34) KDM4ELMNASMN1; SMN2MEN1KMT2A
SCHEMBL3588123 0.86 CYSLTR2 (0.39) ALDH1A1KDM4ELMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 ALDH1A1 4118/4885KDM4E 1967/4885PKM 4269/4885

“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.