SCHEMBL6503351

SCHEMBL6503351

C1CCCC(NCCCN2CCN(CCCNC3CCCCCCC3)CC2)CCC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.59
EPHX1 P07099 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
CXCR4 P61073 5/20 0.44
LMNA P02545 1/20 0.44
CXCL12 P48061 1/20 0.44
HRH3 Q9Y5N1 3/20 0.44
NPC1 O15118 1/20 0.44
CYP2C9 P11712 1/20 0.41

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
SCHEMBL6493217 1.00 RAD52 (0.59) RAD52EPHX1GAASMN1; SMN2HTT
SCHEMBL20614282 0.94 RAD52 (0.58) RAD52EPHX1GAASMN1; SMN2HTT
SCHEMBL7947655 0.94 RAD52 (0.58) RAD52EPHX1GAASMN1; SMN2HTT
SCHEMBL6973435 0.92 RAD52 (0.55) RAD52EPHX1GAASMN1; SMN2CXCR4
SCHEMBL13045564 0.87 GAA (0.62) RAD52EPHX1GAASMN1; SMN2LMNA
SCHEMBL13771289 0.87 GAA (0.62) RAD52EPHX1GAASMN1; SMN2LMNA
SCHEMBL7511788 0.87 RAD52 (0.51) RAD52EPHX1GAASMN1; SMN2HTT
SCHEMBL20124124 0.87 RAD52 (0.81) RAD52EPHX1GAASMN1; SMN2CXCR4
SCHEMBL6975115 0.85 GAA (0.60) RAD52EPHX1GAASMN1; SMN2LMNA
SCHEMBL7393711 0.82 RAD52 (0.50) RAD52CXCR4CXCL12HRH3CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250743-A1 Ammonium salts of inositol hexaphosphate, and uses thereof LEHN JEAN-MARIE 2005-11-10 US claimed
US-6610702-B2 Supplying oxygen to tissues, organs GMP OXYCELL, INC. 2003-08-26 US claimed
US-20020173494-A1 Ammonium salts of inositol hexaphosphate, and uses thereof GMP OXYCELL, INC. 2002-11-21 US claimed
WO-2002010177-A1 AMMONIUM SALTS OF INOSITOL HEXAPHOSPHATE AND USES THEREOF GMP COMPANIES, INC. (US) 2002-02-07 WO claimed
US-20050250743-A1 Ammonium salts of inositol hexaphosphate, and uses thereof LEHN JEAN-MARIE 2005-11-10 US disclosed
US-20050234096-A1 Tetrahydroisoquinoline derivatives BAYER HEALTHCARE AG (DE) 2005-10-20 US disclosed
US-6610702-B2 Supplying oxygen to tissues, organs GMP OXYCELL, INC. 2003-08-26 US disclosed
US-20020173494-A1 Ammonium salts of inositol hexaphosphate, and uses thereof GMP OXYCELL, INC. 2002-11-21 US disclosed
WO-2002010177-A1 AMMONIUM SALTS OF INOSITOL HEXAPHOSPHATE AND USES THEREOF GMP COMPANIES, INC. (US) 2002-02-07 WO 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 (3 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-20050250743-A1 Ammonium salts of inositol hexaphosphate, and uses thereof ITPA, PPIP5K2, INPP5B RAD52 4278/4885EPHX1 2476/4885GAA 1234/4885
US-20050234096-A1 Tetrahydroisoquinoline derivatives PPARD, PPARG, PPARA RAD52 3054/4885EPHX1 1674/4885GAA 2179/4885
US-20020173494-A1 Ammonium salts of inositol hexaphosphate, and uses thereof ITPA, PPIP5K2, INPP5B RAD52 4278/4885EPHX1 2476/4885GAA 1234/4885

“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.