SCHEMBL13617276

SCHEMBL13617276

CC(C)(C)CCCOC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
LMNA P02545 4/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 3/20 0.45
CHRM2 P08172 2/20 0.45
CHRM4 P08173 2/20 0.45
CHRM5 P08912 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
HTR1A P08908 1/20 0.45
CYP2C19 P33261 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
RAB9A P51151 2/20 0.34
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
ADRA1A P35348 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
SCHEMBL11287294 0.93 ALOX15 (0.46) ALOX15LMNAHSD17B10TSHRCHRM2
SCHEMBL28904971 0.91 ALOX15 (0.44) ALOX15LMNAHSD17B10TSHRCHRM2
SCHEMBL29163515 0.91 ALOX15 (0.44) ALOX15LMNAHSD17B10TSHRCHRM2
SCHEMBL28525251 0.91 ALOX15 (0.44) ALOX15LMNAHSD17B10TSHRCHRM2
SCHEMBL225621 0.86 LMNA (0.48) ALOX15LMNAHSD17B10TSHRCHRM2
SCHEMBL249417 0.81 ALDH1A1 (0.38) LMNAHSD17B10TSHRCYP3A4TDP1
SCHEMBL2339066 0.79 ALDH1A1 (0.34) TSHRCHRM1ADRA1ATDP1ALDH1A1
SCHEMBL11316006 0.79 ALDH1A1 (0.56) ALOX15LMNAHSD17B10TSHRCHRM2
SCHEMBL16641610 0.78 CYP4F2 (0.32) ALOX15LMNAHSD17B10ALDH1A1
SCHEMBL18823278 0.78 HTR2C (0.41) LMNAHSD17B10CYP2C19ADRA1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20070090052-A1 Chromatographic stationary phase AGILENT TECHNOLOGIES, INC. 2007-04-26 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-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 ALOX15 4112/4885LMNA 4130/4885HSD17B10 1281/4885

“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.