SCHEMBL17301112

SCHEMBL17301112

CC(=O)OC(C)[n+]1cccc(CC(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.35
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
CXCR1 P25024 3/20 0.34
CXCR2 P25025 3/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 2/20 0.34
AKR1C3 P42330 2/20 0.34
ALOX5 P09917 2/20 0.34
ALB P02768 1/20 0.34
ESR1 P03372 1/20 0.34
RARB P10826 1/20 0.34
ADRB3 P13945 1/20 0.34
NFKB1 P19838 1/20 0.34
HTR2A P28223 1/20 0.34
NR1I3 Q14994 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
CXCL8 P10145 1/20 0.34
AKR1C2 P52895 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
SCHEMBL17301132 0.87 FAAH (0.34) FAAHPTGS1PTGS2CXCR1CXCR2
SCHEMBL17301111 0.86 FAAH (0.33) FAAHPTGS1PTGS2CXCR1CXCR2
SCHEMBL17301114 0.85 FAAH (0.33) FAAHPTGS1PTGS2CXCR1CXCR2
SCHEMBL17301117 0.83 KMT2A (0.40) TSHRLMNAALDH1A1
SCHEMBL17301115 0.74 FAAH (0.32) FAAHPTGS1PTGS2CXCR1CXCR2
SCHEMBL17301110 0.73 ALDH1A1 (0.40) FAAHPTGS1PTGS2CXCR1CXCR2
SCHEMBL15583887 0.73 ALDH1A1 (0.38) PTGS2TSHRLMNAALDH1A1
SCHEMBL17301118 0.73 KMT2A (0.38) TSHRLMNAALDH1A1
SCHEMBL17301119 0.69 FAAH (0.35) FAAHPTGS1PTGS2CXCR1CXCR2
Isobutylbenzene SCHEMBL20263050 0.67 PTGS1 (0.50) PTGS1PTGS2CXCR1CXCR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344426-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-03 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 (1 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-20150344426-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 FAAH 1887/4885PTGS1 160/4885PTGS2 312/4885

“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.