SCHEMBL19429809

SCHEMBL19429809

Nc1ccccc1CCCCCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SIGMAR1 Q99720 2/20 0.40
LIPG Q9Y5X9 1/20 0.40
CA2 P00918 2/20 0.38
FDPS P14324 1/20 0.38
ALOX15 P16050 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MGLL Q99685 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
BCHE P06276 1/20 0.35
TSHR P16473 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
SCHEMBL6931597 1.00 CYP3A4 (0.44) CYP3A4MAPTKDM4EALDH1A1CYP1A2
SCHEMBL2857705 0.98 CYP3A4 (0.46) CYP3A4MAPTKDM4EALDH1A1CYP1A2
SCHEMBL723196 0.91 ALDH1A1 (0.43) CYP3A4MAPTKDM4EALDH1A1CYP1A2
SCHEMBL29573041 0.91 ALDH1A1 (0.43) CYP3A4MAPTKDM4EALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL9992854 0.89 CYP3A4 (0.42) CYP3A4MAPTKDM4EALDH1A1CYP1A2
SCHEMBL23159817 0.89 SIGMAR1 (0.46) CYP3A4MAPTALDH1A1SIGMAR1LIPG
SCHEMBL23159850 0.87 ALOX15 (0.47) CYP3A4MAPTALDH1A1SIGMAR1LIPG
SCHEMBL2178352 0.84 LIPG (0.47) LIPGCA2MGLLSLC6A4BCHE
Methyl Carbamate SCHEMBL28108898 0.83 CYP4A11 (0.43) CYP3A4MAPTKDM4EALDH1A1CYP1A2
Carbamic Acid SCHEMBL28108896 0.82 SIGMAR1 (0.41) CYP3A4MAPTKDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313816-B1 METABOLICALLY ROBUST ANALOGS OF CYP-EICOSANOIDS FOR THE TREATMENT OF CARDIAC DISEASE OMEICOS THERAPEUTICS GMBH (DE) 2023-05-24 EP disclosed
US-20210353569-A1 Analogs of CYP-Eicosanoids for Use in Treating or Preventing a Disorder Associated with Neovascularization and/or Inflammation OMEICOS THERAPEUTICS GMBH (DE) 2021-11-18 US disclosed
US-20190133976-A1 METABOLICALLY ROBUST ANALOGS OF CYP-EICOSANOIDS FOR THE TREATMENT OF CARDIAC DISEASE OMEICOS THERAPEUTICS GMBH (DE) 2019-05-09 US disclosed
US-20190117597-A1 ANALOGS OF CYP-EICOSANOIDS FOR USE IN TREATING OR PREVENTING A DISORDER ASSOCIATED WITH NEOVASCULARIZATION AND/OR INFLAMMATION MAX DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2019-04-25 US disclosed
WO-2017168007-A1 ANALOGS OF CYP-EICOSANOIDS FOR USE IN TREATING OR PREVENTING A DISORDER ASSOCIATED WITH NEOVASCULARIZATION AND/OR INFLAMMATION OMEICOS THERAPEUTICS GMBH (DE) 2017-10-05 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 (3 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-20210353569-A1 Analogs of CYP-Eicosanoids for Use in Treating or Preventing a Disorder Associated with Neovascularization and/or Inflammation ALOX5, ALOX15B, ALOX15 CYP3A4 111/4885MAPT 4420/4885KDM4E 3945/4885
US-20190117597-A1 ANALOGS OF CYP-EICOSANOIDS FOR USE IN TREATING OR PREVENTING A DISORDER ASSOCIATED WITH NEOVASCULARIZATION AND/OR INFLAMMATION ALOX5, ALOX15B, ALOX15 CYP3A4 111/4885MAPT 4420/4885KDM4E 3945/4885
US-20190133976-A1 METABOLICALLY ROBUST ANALOGS OF CYP-EICOSANOIDS FOR THE TREATMENT OF CARDIAC DISEASE ALOX5, ALOX15, ALOX15B CYP3A4 112/4885MAPT 4771/4885KDM4E 3647/4885

“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.