SCHEMBL23924514

SCHEMBL23924514

C[Si](C)(C)C1=C(OS(=O)(=O)C(F)(F)F)CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 6/20 0.46
SIGMAR1 Q99720 6/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PTGDR2 Q9Y5Y4 8/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
DHFR P00374 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRM5 P41594 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL13382410 0.83 TMEM97 (0.46) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL4399041 0.82 TMEM97 (0.45) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL7103546 0.78 TMEM97 (0.42) TMEM97SIGMAR1PTGDR2SMN1; SMN2L3MBTL1
SCHEMBL6160274 0.77 TMEM97 (0.60) TMEM97SIGMAR1PTGDR2
SCHEMBL749417 0.75 GRM5 (0.49) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL31119634 0.75 HTT (0.43) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL7197953 0.74 TMEM97 (0.39) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL18767256 0.74 RAB9A (0.43) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL30421695 0.74 PTGDR2 (0.45) PTGDR2DHFR
SCHEMBL21315051 0.74 TMEM97 (0.43) TMEM97SIGMAR1MEN1KMT2APTGDR2

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-20210323987-A1 Methods for the Synthesis of Heteroatom Containing Polycyclic Aromatic Hydrocarbons THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-21 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-20210323987-A1 Methods for the Synthesis of Heteroatom Containing Polycyclic Aromatic Hydrocarbons AHR, PAH, ALKBH3 TMEM97 4861/4885SIGMAR1 3343/4885MEN1 1721/4885

“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.