SCHEMBL15260899

SCHEMBL15260899

[CH2]c1cccc(COC(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C19 P33261 1/20 0.37
IDO1 P14902 9/20 0.36
FFAR4 Q5NUL3 1/20 0.35
NTRK1 P04629 1/20 0.34
AGXT P21549 6/20 0.34
TAAR1 Q96RJ0 4/20 0.33
SLC6A2 P23975 2/20 0.32
MAOA P21397 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP2A6 P11509 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
RCE1 Q9Y256 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32

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
SCHEMBL646907 0.86 IDO1 (0.42) CYP3A4IDO1FFAR4AGXTTAAR1
SCHEMBL3059636 0.79 IDO1 (0.34) ALDH1A1IDO1
SCHEMBL8750484 0.78 IDO1 (0.60) ALDH1A1IDO1TAAR1MAOA
SCHEMBL10819591 0.78 ENPP2 (0.50) CYP3A4TAAR1
SCHEMBL10226540 0.78 TP53 (0.39) ALDH1A1IDO1FFAR4AGXTTAAR1
SCHEMBL231203 0.78 IDO1 (0.41) IDO1AGXT
SCHEMBL13412791 0.77 IDO1 (0.58) CYP3A4ALDH1A1CYP2C19IDO1AGXT
SCHEMBL19354499 0.77 SLC2A1 (0.37) CYP3A4ALDH1A1CYP2C19IDO1FFAR4
SCHEMBL17214612 0.77 ENPP2 (0.48) CYP3A4ALDH1A1IDO1MRGPRX4
SCHEMBL10314841 0.77 CYP3A4 (0.58) CYP3A4IDO1AGXTTAAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2647644-B1 2'-O-MODIFIED RNA WAVE LIFE SCIENCES JAPAN INC (JP) 2020-09-09 EP disclosed
CN-105555766-A Aminomethyl-biaryl derivatives as complement factor D inhibitors and uses thereof NOVARTIS AG 2016-05-04 CN disclosed
US-8822671-B2 2'-O-modified RNA THE UNIVERSITY OF TOKYO (JP) 2014-09-02 US disclosed
EP-2647644-A1 2'-O-MODIFIED RNA Chiralgen, Ltd. (JP) 2013-10-09 EP disclosed
US-20130253178-A1 2'-O-MODIFIED RNA THE UNIVERSITY OF TOKYO (JP) 2013-09-26 US disclosed
CN-100582087-C 2-amino-bicyclo [3.1.0] hexane-2, 6-dicarboxylic acid ester derivatives TAISHO PHARMACEUTICAL CO LTD 2010-01-20 CN disclosed
CN-1812960-A 2-amino-bicyclo [3.1.0] hexane-2, 6-dicarboxylic acid ester derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2006-08-02 CN 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-20130253178-A1 2'-O-MODIFIED RNA METTL16, NSUN2, METTL3 CYP3A4 3776/4885ALDH1A1 1555/4885CYP2C19 3809/4885

“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.