SCHEMBL861477

SCHEMBL861477

CC(C)(C)NCCNCCN

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.58
CA6 P23280 5/20 0.58
CA7 P43166 5/20 0.58
CA9 Q16790 5/20 0.58
CA14 Q9ULX7 5/20 0.58
CA5B Q9Y2D0 5/20 0.58
CA2 P00918 4/20 0.58
CA4 P22748 4/20 0.58
CA5A P35218 4/20 0.58
LMNA P02545 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
CA3 P07451 3/20 0.58
ALOX15 P16050 3/20 0.58
CA1 P00915 2/20 0.58
ALDH1A1 P00352 1/20 0.58
TP53 P04637 1/20 0.58
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RECQL P46063 2/20 0.53

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
SCHEMBL861103 1.00 CA12 (0.58) CA12CA6CA7CA9CA14
SCHEMBL861101 1.00 CA12 (0.58) CA12CA6CA7CA9CA14
SCHEMBL861479 1.00 CA12 (0.58) CA12CA6CA7CA9CA14
SCHEMBL860587 1.00 CA12 (0.58) CA12CA6CA7CA9CA14
SCHEMBL861217 0.95 CA12 (0.57) CA12CA6CA7CA9CA14
SCHEMBL18827192 0.90 CASP2 (0.62) CA12CA6CA7CA9CA14
SCHEMBL21214219 0.87 CA12 (0.60) CA12CA6CA7CA9CA14
SCHEMBL4908355 0.86 CYP2C19 (0.35) CA12CA6CA7CA9CA14
SCHEMBL5035490 0.86 CYP2C19 (0.35) CA12CA6CA7CA9CA14
SCHEMBL4915897 0.86 CYP2C19 (0.35) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113549025-B Preparation method of 1,4,7, 10-tetraazacyclododecane-1, 4, 7-triacetic acid and sodium salt thereof 江苏美迪克化学品有限公司 2023-07-25 CN claimed
EP-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP claimed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP claimed
US-20080090922-A1 Crosslinkers for improving stability of polyurethane foams EVONIK OPERATIONS GMBH (DE) 2008-04-17 US claimed
CN-113549025-B Preparation method of 1,4,7, 10-tetraazacyclododecane-1, 4, 7-triacetic acid and sodium salt thereof 江苏美迪克化学品有限公司 2023-07-25 CN disclosed
CN-111344358-B Pigment dispersant, pigment composition and pigment colorant 大日精化工业株式会社 2021-02-26 CN disclosed
CN-111344358-A Pigment dispersant, pigment composition and pigment colorant 大日精化工业株式会社 2020-06-26 CN disclosed
US-20170334823-A1 METHODS FOR PRODUCING FUELS, GASOLINE ADDITIVES, AND LUBRICANTS USING AMINE CATALYSTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-23 US disclosed
US-20170327448-A1 METHODS FOR PRODUCING FUELS, GASOLINE ADDITIVES, AND LUBRICANTS USING AMINE CATALYSTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-11-16 US disclosed
EP-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP disclosed
US-8552078-B2 Non-fugitive tertiary amine catalyst and alkylated polyamine crosslinking additives; aging resistance AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-10-08 US disclosed
US-8143413-B2 Polycationized phospholipid derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-03-27 US disclosed
US-8143413-B2 Polycationized phospholipid derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-03-27 US disclosed
US-20100094020-A1 POLYCATIONIZED PHOSPHOLIPID DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 US disclosed
US-20100094020-A1 POLYCATIONIZED PHOSPHOLIPID DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 US disclosed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP disclosed
US-20080090922-A1 Crosslinkers for improving stability of polyurethane foams EVONIK OPERATIONS GMBH (DE) 2008-04-17 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 (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-20170334823-A1 METHODS FOR PRODUCING FUELS, GASOLINE ADDITIVES, AND LUBRICANTS USING AMINE CATALYSTS GK, ADH1A, ADH5 CA12 611/4885CA6 1317/4885CA7 426/4885
US-20100094020-A1 POLYCATIONIZED PHOSPHOLIPID DERIVATIVES PHOSPHO1, PLTP, PTDSS2 CA12 3209/4885CA6 2865/4885CA7 3427/4885
US-20170327448-A1 METHODS FOR PRODUCING FUELS, GASOLINE ADDITIVES, AND LUBRICANTS USING AMINE CATALYSTS GK, MSMO1, DGKG CA12 1796/4885CA6 3383/4885CA7 1592/4885

“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.