SCHEMBL13089902

SCHEMBL13089902

NCCCCCCN(CC(=O)OCc1ccccc1)CC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.50
CA2 P00918 7/20 0.50
CA4 P22748 2/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42

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
SCHEMBL17879692 0.87 CA1 (0.60) CA1CA2CA4ALDH1A1MAPK1
SCHEMBL8016080 0.85 ALDH1A1 (0.54) CA1CA2CA4ALDH1A1MAPK1
SCHEMBL339168 0.85 ALDH1A1 (0.61) CA1CA2CA4ALDH1A1MAPK1
SCHEMBL28893742 0.82 HTT (0.52) CA1CA2CA4ALDH1A1MAPK1
SCHEMBL13130804 0.82 ALDH1A1 (0.45) CA1CA2CA4ALDH1A1MAPK1
SCHEMBL19631329 0.81 HDAC3 (0.47) CA1CA2CA4ALDH1A1MAPK1
SCHEMBL24996860 0.80 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1ITGB3ITGA2B
SCHEMBL3364814 0.80 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1ITGB3ITGA2B
SCHEMBL3093075 0.80 CA1 (0.68) CA1CA2CA4ALDH1A1MAPK1
SCHEMBL24810919 0.80 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1ITGB3ITGA2B

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
US-20140193510-A1 Polymer-Agent Conjugates, Particles, Compositions, and Related Methods of Use CERULEAN PHARMA INC. (US) 2014-07-10 US disclosed
US-20140193510-A1 Polymer-Agent Conjugates, Particles, Compositions, and Related Methods of Use CERULEAN PHARMA INC. (US) 2014-07-10 US disclosed
WO-2010114770-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2010-10-07 WO disclosed
US-20100247669-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. 2010-09-30 US disclosed
US-20100247669-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. 2010-09-30 US 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 (2 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-20100247669-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 CA1 2165/4885CA2 4355/4885CA4 1677/4885
US-20140193510-A1 Polymer-Agent Conjugates, Particles, Compositions, and Related Methods of Use LPXN, POLI, BRCA1 CA1 2165/4885CA2 4355/4885CA4 1677/4885

“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.