SCHEMBL3139874

SCHEMBL3139874

[CH2]CCOC(=O)c1cnco1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
ACACB O00763 2/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NAMPT P43490 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
F2R P25116 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL28317573 0.83 ALDH1A1 (0.44) ALDH1A1LMNAACACBKMT2ATSHR
SCHEMBL414791 0.79 NAMPT (0.46) ALDH1A1LMNAACACBKMT2AMEN1
Hydrochloric Acid SCHEMBL29099329 0.77 NAMPT (0.45) ALDH1A1ACACBKMT2AMEN1TSHR
SCHEMBL15012518 0.73 TDP1 (0.55) ALDH1A1LMNAKMT2AMEN1TSHR
SCHEMBL3146763 0.71 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AMEN1TSHR
Hydrochloric Acid SCHEMBL28665424 0.71 CHRNA4 (0.41) ALDH1A1CHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL27892844 0.68 CHRNA4 (0.44) ALDH1A1LMNACHRNA4CHRNB2CHRNB4
SCHEMBL23042189 0.68 CHRNA4 (0.36) ALDH1A1CHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL29804262 0.67 HDAC4 (0.43) ALDH1A1ACACBKMT2AMEN1NAMPT
SCHEMBL28316679 0.67 CHRNA4 (0.42) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197879-B1 C7-SUBSTITUTED CAMPTOTHECIN ANALOGS BIONUMERIK PHARMACEUTICALS INC (US) 2014-01-22 EP claimed
EP-2197879-A1 C7-SUBSTITUTED CAMPTOTHECIN ANALOGS BIONUMERIK PHARMACEUTICALS, INC. (US) 2010-06-23 EP claimed
US-7687496-B2 C7-substituted camptothecin analogs BIONUMERIK PHARMACEUTICALS, INC. (US) 2010-03-30 US claimed
WO-2009051580-A1 C7-SUBSTITUTED CAMPTOTHECIN ANALOGS BIONUMERIK PHARMACEUTICALS, INC. (US) 2009-04-23 WO claimed
US-20090099224-A1 C7- substituted camptothecin analogs BIONUMERIK PHARMACEUTICALS, INC. 2009-04-16 US claimed

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-20090099224-A1 C7- substituted camptothecin analogs ABCB1, ABCC1, ABCG2 ALDH1A1 979/4885LMNA 1725/4885CHRNA4 4637/4885

“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.