SCHEMBL1974644

SCHEMBL1974644

[CH2]C(C)(C)CC(C)CCCC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.33
ACE2 Q9BYF1 1/20 0.32
CA2 P00918 3/20 0.32
MAPK1 P28482 1/20 0.32
OPRM1 P35372 1/20 0.32
CA1 P00915 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
CTSK P43235 1/20 0.30
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL1973742 0.93 OPRM1 (0.41) DNM1ACE2CA2OPRM1CA1
SCHEMBL28862050 0.91 ACE2 (0.42) DNM1ACE2CA2OPRM1
SCHEMBL7537993 0.91 ACE2 (0.42) DNM1ACE2CA2OPRM1
SCHEMBL1970099 0.85 TSHR (0.42)
SCHEMBL18681323 0.80 DNM1 (0.36) DNM1ACE2CA2MAPK1OPRM1
SCHEMBL20483814 0.79 LMNA (0.50) MEN1CYP3A4ALOX15KMT2A
SCHEMBL1970647 0.79 MEN1 (0.37) DNM1ACE2CA2MAPK1OPRM1
Hexane SCHEMBL27310611 0.78 DNM1 (0.40) DNM1ACE2CA2MAPK1OPRM1
SCHEMBL10412583 0.77 ACE2 (0.38) DNM1ACE2CA2MAPK1OPRM1
SCHEMBL1971034 0.77 DNM1 (0.31) DNM1ACE2CA2MAPK1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3194371-B1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS AGENCY SCIENCE TECH & RES (SG) 2020-09-02 EP disclosed
US-10570097-B2 Antimicrobial imidazolium compounds AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-02-25 US disclosed
US-20190016684-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-01-17 US disclosed
US-10160728-B2 Antimicrobial imidazolium compounds AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-12-25 US disclosed
US-20170291877-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-10-12 US disclosed
CN-107108518-A Antibacterial imidazolium compounds 新加坡科技研究局 2017-08-29 CN disclosed
EP-3194371-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS Agency for Science, Technology and Research (SG) 2017-07-26 EP disclosed
US-9469662-B2 Process for preparing optically active biophosphinylalkanes BASF SE (DE) 2016-10-18 US disclosed
WO-2016043660-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-03-24 WO disclosed
EP-1913007-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE DIPHOSPHANES BASF SE (DE) 2011-06-22 EP disclosed
WO-2007012655-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE DIPHOSPHANES BASF SE (DE) 2007-02-01 WO disclosed
EP-0189583-B1 POLYCARBONATE COMPOSITIONS CONTAINING BORON COMPOUNDS GENERAL ELECTRIC COMPANY (US) 1991-06-26 EP disclosed
EP-0270786-A1 Color stabilized polysulfone compositions GENERAL ELECTRIC COMPANY (US) 1988-06-15 EP disclosed
US-4721737-A POLYETHER COPOLYMERS, BORON STABILIZERS GENERAL ELECTRIC COMPANY (US) 1988-01-26 US disclosed
US-4686245-A ANTI-YELLOWING DURING STERILIZATION FOR MEDICAL USES GENERAL ELECTRIC COMPANY (US) 1987-08-11 US disclosed
EP-0189583-A2 Polycarbonate compositions containing boron compounds GENERAL ELECTRIC COMPANY (US) 1986-08-06 EP disclosed
US-4169153-A PROPHYLAXIS, ANTIHISTAMINES THE UPJOHN COMPANY (US) 1979-09-25 US disclosed
US-4091011-A PROPHYLACTIC ANTIANAPHYLACTICS, ANTIALLERGENS THE UPJOHN COMPANY (US) 1978-05-23 US disclosed
US-4067995-A ANTIALLERGENS; N,N-(CYANO-PHENYLENE)-DIOXAMIC ACID DERIVATIVES THE UPJOHN COMPANY (US) 1978-01-10 US disclosed
US-3980660-A ANTIAUERGENS, ANAPHYLACTIC THE UPJOHN COMPANY (US) 1976-09-14 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 (4 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-10570097-B2 Antimicrobial imidazolium compounds CCNI, MACF1, ECI1 DNM1 707/4885ACE2 2828/4885CA2 3752/4885
US-10160728-B2 Antimicrobial imidazolium compounds CCNI, MACF1, ECI1 DNM1 707/4885ACE2 2828/4885CA2 3752/4885
US-20170291877-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS CCNI, MACF1, ECI1 DNM1 707/4885ACE2 2828/4885CA2 3752/4885
US-20190016684-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS CCNI, MACF1, ECI1 DNM1 707/4885ACE2 2828/4885CA2 3752/4885

“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.