SCHEMBL16689485

SCHEMBL16689485

CC(CCO)C(=O)OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.43
EPHX1 P07099 2/20 0.41
NAAA Q02083 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 2/20 0.37
CYP2C19 P33261 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ADRA1A P35348 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR3A P46098 1/20 0.34
KCNH2 Q12809 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
ANPEP P15144 2/20 0.34
LTA4H P09960 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
SCHEMBL22085975 1.00 CYP19A1 (0.43) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL12857967 1.00 CYP19A1 (0.43) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL22085979 0.98 CYP19A1 (0.45) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL18098094 0.88 CYP19A1 (0.40) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL18098075 0.86 CYP19A1 (0.42) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL18098083 0.86 CYP19A1 (0.42) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL22086928 0.85 CYP19A1 (0.43) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL10880143 0.85 NAAA (0.46) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL18098110 0.84 CYP19A1 (0.37) CYP19A1EPHX1NAAAL3MBTL1HTT
SCHEMBL12858355 0.84 CYP19A1 (0.42) CYP19A1EPHX1NAAAL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200179428-A1 CYCLIC PHOSPHATE SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2020-06-11 US disclosed
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-05-07 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-20200179428-A1 CYCLIC PHOSPHATE SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES PNP, TYMP, ENTPD5 CYP19A1 2884/4885EPHX1 2158/4885NAAA 1887/4885
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP CYP19A1 390/4885EPHX1 358/4885NAAA 73/4885

“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.