SCHEMBL25764618

SCHEMBL25764618

CC(C)(C)OCc1cc(F)cc(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.36
IDO1 P14902 2/20 0.36
EPAS1 Q99814 5/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
NTRK1 P04629 1/20 0.33
NTRK3 Q16288 1/20 0.33
NTRK2 Q16620 1/20 0.33
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33

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
SCHEMBL25762063 0.83 IDO1 (0.36) IDO1
SCHEMBL12666597 0.82 IDO1 (0.52) IDO1
SCHEMBL25077205 0.81 GRM5 (0.50) GRM5IDO1
SCHEMBL17523376 0.75 IDO1 (0.41) IDO1NTRK1NTRK3NTRK2NR3C1
SCHEMBL13597443 0.75 MRGPRX4 (0.52) GRM5MRGPRX4
SCHEMBL13226847 0.74 CYP2A6 (0.48) GRM5
SCHEMBL25941174 0.74 MTNR1A (0.42) EPAS1
SCHEMBL19250942 0.74 IDO1 (0.39) IDO1EPAS1NR3C1NR3C2
SCHEMBL24004583 0.73 GRM5 (0.40) GRM5
SCHEMBL12085949 0.73 CYP2A6 (0.52)

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-20230212199-A1 PHOSPHOLIPID COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. 2023-07-06 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-20230212199-A1 PHOSPHOLIPID COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PHOSPHO1, SGMS1, SGMS2 GRM5 1639/4885IDO1 3042/4885EPAS1 1005/4885

“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.