SCHEMBL17607441

SCHEMBL17607441

[CH2]C(C)C(C)C(C)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL17607552 0.96
SCHEMBL5985717 0.87
SCHEMBL5984834 0.77
SCHEMBL598898 0.76 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10
SCHEMBL7618 0.71
SCHEMBL1193514 0.71
SCHEMBL19226305 0.71 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10
SCHEMBL10474909 0.71
SCHEMBL82506 0.66
SCHEMBL81105 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986215-A 2-Phenyl-4-acyl benzofurans, preparation and application thereof 中国医学科学院药物研究所 2024-05-07 CN claimed
CN-117986215-A 2-Phenyl-4-acyl benzofurans, preparation and application thereof 中国医学科学院药物研究所 2024-05-07 CN disclosed
CN-116693479-A BysspinA derivative, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2023-09-05 CN disclosed
US-11345680-B2 Method for producing bispyrrolidine compounds BASF SE (DE) 2022-05-31 US disclosed
US-20200392115-A1 METHOD FOR PRODUCING BISPYRROLIDINE COMPOUNDS BASF SE (DE) 2020-12-17 US disclosed
EP-3713915-A1 METHOD FOR PRODUCING BISPYRROLIDINE COMPOUNDS BASF SE (DE) 2020-09-30 EP disclosed
EP-3194371-B1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS AGENCY SCIENCE TECH & RES (SG) 2020-09-02 EP disclosed
CN-107108518-B Antibacterial imidazolium compounds 新加坡科技研究局 2020-08-11 CN disclosed
CN-111372916-A Process for producing bispyrrolidine compounds 巴斯夫欧洲公司 2020-07-03 CN disclosed
US-10570097-B2 Antimicrobial imidazolium compounds AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-02-25 US disclosed
WO-2019101568-A1 METHOD FOR PRODUCING BISPYRROLIDINE COMPOUNDS BASF SE (DE) 2019-05-31 WO disclosed
CN-105969543-B Flue dust cleaning agent after fire 江苏筑磊电子科技有限公司 2019-04-05 CN 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
CN-105969543-A Smoke dust cleaning agent after fire hazards 江苏筑磊电子科技有限公司 2016-09-28 CN disclosed
WO-2016043660-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-03-24 WO 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 (6 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 3371/4885TSHR 3989/4885HSD17B10 2205/4885
US-20200392115-A1 METHOD FOR PRODUCING BISPYRROLIDINE COMPOUNDS BBOX1, DHPS, BCKDK ALDH1A1 397/4885TSHR 4272/4885HSD17B10 271/4885
US-11345680-B2 Method for producing bispyrrolidine compounds BCKDK, BBOX1, DHPS ALDH1A1 671/4885TSHR 4288/4885HSD17B10 337/4885
US-10160728-B2 Antimicrobial imidazolium compounds CCNI, MACF1, ECI1 ALDH1A1 3371/4885TSHR 3989/4885HSD17B10 2205/4885
US-20170291877-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS CCNI, MACF1, ECI1 ALDH1A1 3371/4885TSHR 3989/4885HSD17B10 2205/4885
US-20190016684-A1 ANTIMICROBIAL IMIDAZOLIUM COMPOUNDS CCNI, MACF1, ECI1 ALDH1A1 3371/4885TSHR 3989/4885HSD17B10 2205/4885

“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.