SCHEMBL3146763

SCHEMBL3146763

[CH2]CCOC(=O)c1ccco1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
LMNA P02545 2/20 0.57
KMT2A Q03164 5/20 0.57
MAPT P10636 2/20 0.54
TSHR P16473 2/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NPC1 O15118 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL11039202 0.90 ALDH1A1 (0.62) ALDH1A1LMNAKMT2AMAPTTSHR
SCHEMBL7755246 0.89 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AMAPTTSHR
SCHEMBL15256939 0.87 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AMAPTTSHR
SCHEMBL31337846 0.87 ALDH1A1 (0.59) ALDH1A1LMNAKMT2AMAPTTSHR
SCHEMBL4661575 0.85 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AMAPTTSHR
SCHEMBL4688815 0.85 KMT2A (0.60) ALDH1A1LMNAKMT2AMAPTTSHR
SCHEMBL14369823 0.84 ALDH1A1 (0.56) ALDH1A1LMNAKMT2AMAPTTSHR
SCHEMBL1532433 0.84 KMT2A (0.73) ALDH1A1LMNAKMT2AMAPTTSHR
SCHEMBL27288913 0.84 ALDH1A1 (0.56) ALDH1A1LMNAKMT2AMAPTTSHR
SCHEMBL27859868 0.84 ALDH1A1 (0.56) ALDH1A1LMNAKMT2AMAPTTSHR

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 1725/4885KMT2A 4548/4885

“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.