SCHEMBL1177482

SCHEMBL1177482

NCCCNCCCC(N)CCN

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.55
CA6 P23280 5/20 0.55
CA7 P43166 5/20 0.55
CA9 Q16790 5/20 0.55
CA14 Q9ULX7 5/20 0.55
CA5B Q9Y2D0 5/20 0.55
CA2 P00918 4/20 0.55
CA4 P22748 4/20 0.55
CA5A P35218 4/20 0.55
ALOX15 P16050 3/20 0.55
CASP2 P42575 2/20 0.55
F13A1 P00488 2/20 0.55
CYP1A2 P05177 2/20 0.55
THPO P40225 2/20 0.55
MEN1 O00255 2/20 0.55
RECQL P46063 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CA3 P07451 3/20 0.52

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
SCHEMBL30867218 0.98 CA12 (0.52) CA12CA6CA7CA9CA14
SCHEMBL8699212 0.93 CA12 (0.59) CA12CA6CA7CA9CA14
SCHEMBL4542619 0.93 CA12 (0.57) CA12CA6CA7CA9CA14
SCHEMBL6723786 0.91 CA12 (0.55) CA12CA6CA7CA9CA14
SCHEMBL4562238 0.91 CA12 (0.59) CA12CA6CA7CA9CA14
SCHEMBL18316003 0.88 CASP2 (0.59) CA12CA6CA7CA9CA14
SCHEMBL23924138 0.86 CA12 (0.55) CA12CA6CA7CA9CA14
SCHEMBL3069983 0.84 CA12 (0.52) CA12CA6CA7CA9CA14
SCHEMBL21045082 0.84 CASP2 (0.59) CA12CA6CA7CA9CA14
Hydrochloric Acid SCHEMBL9190767 0.83 TSHR (0.41) CA12CA6CA7CA9CA14

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006502081-A 2006-01-19 JP claimed
US-20050085555-A1 Composition, synthesis and therapeutic applications of polyamines MURPHY, MICHAEL A. 2005-04-21 US claimed
EP-1465611-A2 COMPOSITION, SYNTHESIS AND THERAPEUTIC APPLICATIONS OF POLYAMINES Murphy, Michael A. (US) 2004-10-13 EP claimed
WO-2003051348-A2 COMPOSITION, SYNTHESIS AND THERAPEUTIC APPLICATIONS OF POLYAMINES MURPHY MICHAEL A (US) 2003-06-26 WO claimed
CN-115698132-B Amphiphilic alkoxylated polyethylene/propylene imine copolymers for multi-effect detergent formulations 巴斯夫欧洲公司 2024-10-29 CN disclosed
CN-115698132-A Amphiphilic alkoxylated polyethylene/propylene imine copolymers for use in multi-effect detergent formulations 巴斯夫欧洲公司 2023-02-03 CN disclosed
US-20140057877-A1 Therapeutic polyamine compositions and their synthesis MURPHY MICHAEL A (US) 2014-02-27 US disclosed
US-20110165101-A1 PHOTO-LABILE PRO-FRAGRANCE CONJUGATES DYKSTRA ROBERT RICHARD 2011-07-07 US disclosed
US-20110028367-A1 PHOTO-LABILE PRO-FRAGRANCE CONJUGATES DYKSTRA ROBERT RICHARD 2011-02-03 US disclosed
US-20100210495-A1 PHOTO-LABILE PRO-FRAGRANCE CONJUGATES DYKSTRA ROBERT RICHARD 2010-08-19 US disclosed
US-20100040569-A1 PHOTO-LABILE PRO-FRAGRANCE CONJUGATES DYKSTRA ROBERT RICHARD 2010-02-18 US disclosed
US-20090186790-A1 PHOTO-LABILE PRO-FRAGRANCE CONJUGATES DYKSTRA ROBERT RICHARD 2009-07-23 US disclosed
EP-1465611-A2 COMPOSITION, SYNTHESIS AND THERAPEUTIC APPLICATIONS OF POLYAMINES Murphy, Michael A. (US) 2004-10-13 EP disclosed
US-20040087453-A1 Sustained release; controlled chemical cascade; storage stability THE PROCTER & GAMBLE COMPANY 2004-05-06 US disclosed
EP-1331922-A1 PHOTO-LABILE PRO-FRAGRANCE CONJUGATES THE PROCTER & GAMBLE COMPANY (US) 2003-08-06 EP disclosed
WO-2003051348-A2 COMPOSITION, SYNTHESIS AND THERAPEUTIC APPLICATIONS OF POLYAMINES MURPHY MICHAEL A (US) 2003-06-26 WO disclosed
US-20030013772-A1 Composition, synthesis and therapeutic applications of polyamines MURPHY, MICHAEL A. 2003-01-16 US disclosed
US-20020094938-A1 Photo-labile pro-fragrance conjugates THE PROCTER & GAMBLE COMPANY 2002-07-18 US disclosed
WO-2002038120-A1 PHOTO-LABILE PRO-FRAGRANCE CONJUGATES THE PROCTER & GAMBLE COMPANY (US) 2002-05-16 WO disclosed
EP-0081726-A1 Nitrobenzoic acid amide derivatives TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1983-06-22 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 (9 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-20030013772-A1 Composition, synthesis and therapeutic applications of polyamines TXN2, PYCR1, SQOR CA12 324/4885CA6 773/4885CA7 2899/4885
US-20110165101-A1 PHOTO-LABILE PRO-FRAGRANCE CONJUGATES ERCC5, CUTA, TRPA1 CA12 2980/4885CA6 3787/4885CA7 2354/4885
US-20050085555-A1 Composition, synthesis and therapeutic applications of polyamines PRDX5, PINK1, ARG2 CA12 4712/4885CA6 4855/4885CA7 4826/4885
US-20110028367-A1 PHOTO-LABILE PRO-FRAGRANCE CONJUGATES ERCC5, CUTA, TRPA1 CA12 2980/4885CA6 3787/4885CA7 2354/4885
US-20090186790-A1 PHOTO-LABILE PRO-FRAGRANCE CONJUGATES ERCC5, CUTA, TRPA1 CA12 2980/4885CA6 3787/4885CA7 2354/4885
US-20020094938-A1 Photo-labile pro-fragrance conjugates ERCC5, CUTA, TRPA1 CA12 2980/4885CA6 3787/4885CA7 2354/4885
US-20100040569-A1 PHOTO-LABILE PRO-FRAGRANCE CONJUGATES ERCC5, CUTA, TRPA1 CA12 2980/4885CA6 3787/4885CA7 2354/4885
US-20140057877-A1 Therapeutic polyamine compositions and their synthesis MCU, PC, PINK1 CA12 4780/4885CA6 4866/4885CA7 4860/4885
US-20100210495-A1 PHOTO-LABILE PRO-FRAGRANCE CONJUGATES ERCC5, CUTA, TRPA1 CA12 2980/4885CA6 3787/4885CA7 2354/4885

“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.