SCHEMBL2538760

SCHEMBL2538760

NCCNCCNCCNCCNCCNCCNCCNCCNCCNCCNCCNCCNCCN

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 1.00
CA6 P23280 5/20 1.00
CA7 P43166 5/20 1.00
CA9 Q16790 5/20 1.00
CA14 Q9ULX7 5/20 1.00
CA5B Q9Y2D0 5/20 1.00
CA2 P00918 4/20 1.00
CA4 P22748 4/20 1.00
CA5A P35218 4/20 1.00
LMNA P02545 3/20 1.00
TDP1 Q9NUW8 3/20 1.00
CA3 P07451 3/20 1.00
ALOX15 P16050 3/20 1.00
CA1 P00915 2/20 1.00
ALDH1A1 P00352 1/20 1.00
TP53 P04637 1/20 1.00
KDM4E B2RXH2 1/20 0.92
MEN1 O00255 2/20 0.91
RECQL P46063 2/20 0.91
KMT2A Q03164 2/20 0.91

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
SCHEMBL181401 1.00 CA12 (1.00) CA12CA6CA7CA9CA14
Trientine SCHEMBL10917234 1.00 CA12 (1.00) CA12CA6CA7CA9CA14
Trientine SCHEMBL3840289 1.00 CA12 (1.00) CA12CA6CA7CA9CA14
SCHEMBL25340653 1.00 CA12 (1.00) CA12CA6CA7CA9CA14
SCHEMBL15797 1.00 CA12 (1.00) CA12CA6CA7CA9CA14
SCHEMBL25342018 1.00 CA12 (1.00) CA12CA6CA7CA9CA14
Trientine SCHEMBL15439 1.00 CA12 (1.00) CA12CA6CA7CA9CA14
SCHEMBL25342922 1.00 CA12 (1.00) CA12CA6CA7CA9CA14
SCHEMBL581603 1.00 CA12 (1.00) CA12CA6CA7CA9CA14
SCHEMBL28170 1.00 CA12 (1.00) 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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3398932-B1 METHOD FOR SELECTIVELY SYNTHESIZING CATIONIC LIPIDS SAMYANG HOLDINGS CORP (KR) 2021-08-11 EP claimed
US-20180346410-A1 METHOD FOR SELECTIVELY SYNTHESIZING CATIONIC LIPIDS SAMYANG HOLDINGS CORPORATION (KR) 2018-12-06 US claimed
EP-3398932-A2 METHOD FOR SELECTIVELY SYNTHESIZING CATIONIC LIPIDS Samyang Biopharmaceuticals Corporation (KR) 2018-11-07 EP claimed
US-20170335204-A1 HEAVY AMINES AS HYDROGEN SULFIDE AND MERCAPTAN SCAVENGERS ECOLAB USA INC. 2017-11-23 US claimed
US-9340723-B2 Catalyzed polyamine sulfide scavengers and methods of use in subterranean treatment fluids HALLIBURTON ENERGY SERVICES, INC. (US) 2016-05-17 US claimed
EP-2262856-B1 HYDROGEN SULFIDE SCAVENGERS AND METHODS FOR REMOVING HYDROGEN SULFIDE FROM ASPHALT GEN ELECTRIC (US) 2015-04-08 EP claimed
US-20150000918-A1 CATALYZED POLYAMINE SULFIDE SCAVENGERS AND METHODS OF USE IN SUBTERRANEAN TREATMENT FLUIDS HALLIBURTON ENERGY SERVICES, INC. (US) 2015-01-01 US claimed
WO-2014209722-A1 CATALYZED POLYAMINE SULFIDE SCAVENGERS AND METHODS OF USE IN SUBTERRANEAN TREATMENT FLUIDS HALLIBURTON ENERGY SERVICES, INC. (US) 2014-12-31 WO claimed
US-8465665-B2 Refrigerating-machine oil composition, and compressor for refrigerating machine and refrigerating apparatus each employing the same IDEMITSU KOSAN CO., LTD. (JP) 2013-06-18 US claimed
US-20110252825-A1 REFRIGERATING-MACHINE OIL COMPOSITION, AND COMPRESSOR FOR REFRIGERATING MACHINE AND REFRIGERATING APPARATUS EACH EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-10-20 US claimed
EP-2262856-A1 HYDROGEN SULFIDE SCAVENGERS AND METHODS FOR REMOVING HYDROGEN SULFIDE FROM ASPHALT General Electric Company (US) 2010-12-22 EP claimed
WO-2009120419-A1 HYDROGEN SULFIDE SCAVENGERS AND METHODS FOR REMOVING HYDROGEN SULFIDE FROM ASPHALT GENERAL ELECTRIC COMPANY (US) 2009-10-01 WO claimed
US-20090242461-A1 HYDROGEN SULFIDE SCAVENGERS AND METHODS FOR REMOVING HYDROGEN SULFIDE FROM ASPHALT GENERAL ELECTRIC COMPANY 2009-10-01 US claimed
US-20080053920-A1 A scavenger selected from a 1,3,5-trisalkanylamino hexahydro-1,3,5-triazine derivative, morpholine or piperazine derivative, amine oxide, alkanolamine, or aliphatic or aromatic polyamine; drilling, production, transport, storage, and processing of crude oil, residual fuel oil including waste water BJ SERVICES COMPANY 2008-03-06 US claimed
US-20050238556-A1 Contacting crude oil and residual fuel oil streams with a scavenger, 1,3,5-tris[3-(dimethylamino)propyl]hexahydro-1,3,5-triazine, a morpholine or piperazine derivative and an amide substituted amine oxide BAKER HUGHES HOLDINGS LLC 2005-10-27 US claimed
EP-3695850-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING A NEGATIVELY CHARGED DRUG AND A CATIONIC LIPID SAMYANG HOLDINGS CORP (KR) 2025-05-21 EP disclosed
US-20230332064-A1 LUBRICATING OIL COMPOSITION ENEOS CORPORATION (JP) 2023-10-19 US disclosed
US-5284576-A Method of scavenging hydrogen sulfide from hydrocarbons PETROLITE CORPORATION (US) 1994-02-08 US disclosed
EP-0411745-A1 Method of scavenging hydrogen sulfide from hydrocarbons PETROLITE CORPORATION (US) 1991-02-06 EP disclosed
US-4877578-A REACTION PRODUCT OF ALKYLENEPOLYAMINE AND FORMALDEHYDE PETROLITE CORPORATION (US) 1989-10-31 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 (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-20180346410-A1 METHOD FOR SELECTIVELY SYNTHESIZING CATIONIC LIPIDS LIPA, LIPC, FASN CA12 1491/4885CA6 1293/4885CA7 1378/4885

“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.