SCHEMBL3963400

SCHEMBL3963400

CCCCCCCCCCCCCCCCCC(=O)N(C)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM5A P29375 2/20 0.49
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 7/20 0.46
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
HDAC11 Q96DB2 5/20 0.46
TSHR P16473 4/20 0.46
PTPN1 P18031 3/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
MEN1 O00255 1/20 0.46
ESR1 P03372 1/20 0.46
ALOX15 P16050 1/20 0.46
PDE4A P27815 1/20 0.46

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
SCHEMBL1667458 1.00 ALDH1A1 (0.50) ALDH1A1KDM5ACES2CES1GPR84
SCHEMBL31528799 1.00 ALDH1A1 (0.50) ALDH1A1KDM5ACES2CES1GPR84
SCHEMBL20276417 1.00 ALDH1A1 (0.50) ALDH1A1KDM5ACES2CES1GPR84
SCHEMBL15056776 1.00 ALDH1A1 (0.50) ALDH1A1KDM5ACES2CES1GPR84
SCHEMBL2304549 1.00 ALDH1A1 (0.50) ALDH1A1KDM5ACES2CES1GPR84
SCHEMBL8142273 1.00 ALDH1A1 (0.50) ALDH1A1KDM5ACES2CES1GPR84
SCHEMBL14752730 1.00 ALDH1A1 (0.50) ALDH1A1KDM5ACES2CES1GPR84
SCHEMBL1713084 0.98 ALDH1A1 (0.52) ALDH1A1KDM5ACES2CES1GPR84
SCHEMBL211903 0.91 ALDH1A1 (0.60) ALDH1A1KDM5ACES2CES1DNM1
SCHEMBL29991123 0.91 ALDH1A1 (0.41) ALDH1A1KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548087-A1 NUCLEOSIDE TRIPHOSPHATE AND NUCLEOSIDE TRIPHOSPHATE ANALOGUE PRODRUGS Universität Hamburg (DE) 2019-10-09 EP disclosed
WO-2018100137-A1 NUCLEOSIDE TRIPHOSPHATE AND NUCLEOSIDE TRIPHOSPHATE ANALOGUE PRODRUGS UNIVERSITÄT HAMBURG (DE) 2018-06-07 WO disclosed
WO-2018100137-A1 NUCLEOSIDE TRIPHOSPHATE AND NUCLEOSIDE TRIPHOSPHATE ANALOGUE PRODRUGS UNIVERSITÄT HAMBURG (DE) 2018-06-07 WO disclosed
US-20090270421-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2009-10-29 US disclosed
US-7560570-B2 Inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2009-07-14 US disclosed
US-20050239785-A1 Inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2005-10-27 US disclosed
US-6891043-B2 Inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2005-05-10 US disclosed
US-20030092734-A1 Inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE 2003-05-15 US disclosed
US-6462054-B1 ALPHA KETO HETEROCYCLIC PHARMACOPHORE; COMPLEMENTARY BINDING BY ELECTROPHILIC CARBONYL AND WEAKLY BASIC NITROGEN OF SUCH AS OXAZOLOPYRIDINE GROUP; SLEEP AIDS OR ANALGESICS; PRESERVING ENDOGENOUS LEVELS OF OLEAMIDE AND ANANDAMIDE THE SCRIPPS RESEARCH INSTITUTE 2002-10-08 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 (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-20090270421-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, CNR2 ALDH1A1 1146/4885KDM5A 359/4885CES2 170/4885
US-20030092734-A1 Inhibitors of fatty acid amide hydrolase FAAH, FAAH2, CNR2 ALDH1A1 859/4885KDM5A 227/4885CES2 110/4885
US-20050239785-A1 Inhibitors of fatty acid amide hydrolase FAAH, FAAH2, CNR2 ALDH1A1 1146/4885KDM5A 359/4885CES2 170/4885

“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.