SCHEMBL1045595

SCHEMBL1045595

Cc1ccc(CN2CCCN(Cc3ccc(C)cc3)CCN(Cc3ccc(C)cc3)CCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.74
LMNA P02545 1/20 0.74
POLB P06746 1/20 0.74
HRH3 Q9Y5N1 4/20 0.64
CXCR4 P61073 1/20 0.64
KMT2A Q03164 3/20 0.61
CHKA P35790 2/20 0.61
MEN1 O00255 2/20 0.61
CA2 P00918 1/20 0.58
NCF1 P14598 1/20 0.58
PRMT6 Q96LA8 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
MAPK1 P28482 1/20 0.57
HRH4 Q9H3N8 1/20 0.57
KDM4E B2RXH2 2/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL1045984 1.00 ALDH1A1 (0.74) ALDH1A1LMNAPOLBHRH3CXCR4
SCHEMBL13215736 0.98 ALDH1A1 (0.70) ALDH1A1LMNAPOLBHRH3CXCR4
SCHEMBL1046331 0.98 ALDH1A1 (0.70) ALDH1A1LMNAPOLBHRH3CXCR4
SCHEMBL11852 0.93 HRH3 (0.74) ALDH1A1LMNAPOLBHRH3CXCR4
SCHEMBL7989530 0.93 LMNA (0.83) ALDH1A1LMNAPOLBHRH3CXCR4
SCHEMBL11356824 0.93 LMNA (0.83) ALDH1A1LMNAPOLBHRH3CXCR4
SCHEMBL7989269 0.93 LMNA (0.83) ALDH1A1LMNAPOLBHRH3CXCR4
SCHEMBL1045922 0.93 LMNA (0.83) ALDH1A1LMNAPOLBHRH3CXCR4
SCHEMBL19671025 0.92 ALDH1A1 (0.89) ALDH1A1LMNAPOLBHRH3CXCR4
SCHEMBL329323 0.91 HRH3 (0.78) ALDH1A1LMNAPOLBHRH3CXCR4

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
EP-2269995-B1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST DAINIPPON INK & CHEMICALS (JP) 2012-12-12 EP disclosed
US-8017706-B2 Process for production of polymers with iron complex catalyst DIC CORPORATION (JP) 2011-09-13 US disclosed
US-20110105703-A1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST DIC Corporatio (JP) 2011-05-05 US disclosed
EP-2269995-A1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST DIC Corporation (JP) 2011-01-05 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-20110105703-A1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST TFRC, FECH, FTH1 ALDH1A1 4106/4885LMNA 4446/4885POLB 337/4885

“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.