SCHEMBL17607754

SCHEMBL17607754

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 5/20 0.48
TSHR P16473 5/20 0.48
CA2 P00918 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.37
LMNA P02545 2/20 0.34
CYP2D6 P10635 2/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL4654163 0.96 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL17135311 0.93 ALDH1A1 (0.43) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL7566789 0.91 LMNA (0.46) ALDH1A1TDP1CYP3A4TSHRL3MBTL1
SCHEMBL7755673 0.89 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL20400802 0.86 ALDH1A1 (0.39) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL8091785 0.85 ALDH1A1 (0.32) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL4655229 0.83 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4652994 0.82 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL4281881 0.82 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL3338373 0.81 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023180219-A1 A METHOD FOR SYNTHESIS OF HALIDE SALTS SOLAVENI GMBH (DE) 2023-09-28 WO claimed
WO-2023180219-A1 A METHOD FOR SYNTHESIS OF HALIDE SALTS SOLAVENI GMBH (DE) 2023-09-28 WO disclosed
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
CN-103897494-B Copper film formation composition, copper film forming method, copper film, wiring substrate and electronic equipment JSR株式会社 2017-10-27 CN 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
CN-107073516-A Method for producing structure having concave pattern, resin composition, method for forming conductive film, electronic circuit, and electronic device JSR株式会社 2017-08-18 CN disclosed
EP-3194371-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS Agency for Science, Technology and Research (SG) 2017-07-26 EP disclosed
WO-2016043660-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-03-24 WO disclosed
CN-104022072-A Method for forming metal film, conductive ink, multilayer wiring board, semiconductor substrate, and capacitor cell JSR CORP 2014-09-03 CN disclosed
CN-103897494-A Copper film forming composition, copper film forming method, copper film, wiring substrate and electronic device JSR CORP 2014-07-02 CN 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 ALDH1A1 3371/4885TDP1 4399/4885CYP3A4 1947/4885
US-10160728-B2 Antimicrobial imidazolium compounds CCNI, MACF1, ECI1 ALDH1A1 3371/4885TDP1 4399/4885CYP3A4 1947/4885
US-20170291877-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS CCNI, MACF1, ECI1 ALDH1A1 3371/4885TDP1 4399/4885CYP3A4 1947/4885
US-20190016684-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS CCNI, MACF1, ECI1 ALDH1A1 3371/4885TDP1 4399/4885CYP3A4 1947/4885

“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.