SCHEMBL17589051

SCHEMBL17589051

CC[Si](CC)(CC)O[C@H](/C(C)=C/c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FBP1 P09467 1/20 0.36
NR1I2 O75469 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
AKR1C3 P42330 1/20 0.35
LMNA P02545 2/20 0.35
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
CYP3A4 P08684 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
KDM1A O60341 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
SCHEMBL20496665 1.00 MEN1 (0.37) MEN1KMT2AFBP1NR1I2NPC1
SCHEMBL13754063 0.78 ALDH1A1 (0.40) ALDH1A1LMNACYP3A4NOS3NOS2
SCHEMBL20496664 0.74 CYP1A2 (0.38) MEN1KMT2ANR1I2NPC1RAB9A
SCHEMBL10824109 0.74 LMNA (0.37) KMT2AALDH1A1TSHRLMNACYP3A4
SCHEMBL4057730 0.71 ALDH1A1 (0.38) KMT2AALDH1A1LMNACYP3A4
SCHEMBL17777983 0.70 KMT2A (0.45) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6546668 0.70 LMNA (0.44) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6546664 0.70 LMNA (0.44) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5317035 0.70 LMNA (0.33) ALDH1A1LMNACYP3A4NOS3NOS2
SCHEMBL5317773 0.70 ASAH1 (0.40) NPC1RAB9AALDH1A1TDP1

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-9334297-B2 Chiral imidazolium salts for asymmetric catalysis NORTHWESTERN UNIVERSITY (US) 2016-05-10 US disclosed
US-20160075728-A1 Chiral Imidazolium Salts for Asymmetric Catalysis NATIONAL SCIENCE FOUNDATION 2016-03-17 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-20160075728-A1 Chiral Imidazolium Salts for Asymmetric Catalysis NDC1, NUDC, NIT2 MEN1 1085/4885KMT2A 1176/4885FBP1 1450/4885

“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.