SCHEMBL2118173

SCHEMBL2118173

C[CH]CCCCC=CCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
F7 P08709 3/20 0.43
F3 P13726 3/20 0.43
CYP19A1 P11511 3/20 0.43
MAPT P10636 2/20 0.43
OXER1 Q8TDS5 2/20 0.43
PTGS1 P23219 2/20 0.43
PPARG P37231 2/20 0.43
KMT2A Q03164 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
NR1I2 O75469 2/20 0.43
PTGS2 P35354 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
FFAR1 O14842 1/20 0.43

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
SCHEMBL2118172 1.00 ALDH1A1 (0.43) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL9211712 0.97 ALDH1A1 (0.47) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL9712201 0.97 ALDH1A1 (0.47) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL9211718 0.97 ALDH1A1 (0.47) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL19878301 0.97 ALDH1A1 (0.47) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL2120717 0.94
SCHEMBL2120718 0.94
SCHEMBL8953854 0.90 ALDH1A1 (0.57) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL8834831 0.87 ALDH1A1 (0.50) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL8834834 0.87 ALDH1A1 (0.50) ALDH1A1F7F3CYP19A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922742-B Resin composition 日本瑞翁株式会社 2021-01-15 CN disclosed
US-20150045409-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-12 US disclosed
EP-2813493-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Company Limited (JP) 2014-12-17 EP disclosed
EP-2444401-B1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO PHARMACEUTICAL CO (JP) 2014-09-03 EP disclosed
US-8569504-B2 Imidazopyridine compound ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
EP-2444401-A1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO Pharmaceutical Co., Ltd. (JP) 2012-04-25 EP disclosed
US-20120094944-A1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-19 US disclosed
US-5929119-A Fungicidal composition BASF AKTIENGESELLSCHAFT (DE) 1999-07-27 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 (2 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-20150045409-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL ARG1, ACOT7, RPS8 ALDH1A1 3183/4885F7 307/4885F3 491/4885
US-20120094944-A1 NOVEL IMIDAZOPYRIDINE COMPOUND CMA1, ACE, ALPI ALDH1A1 539/4885F7 2135/4885F3 1370/4885

“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.