SCHEMBL6724607

SCHEMBL6724607

CC(C#N)(O[Si](C)(C)C)c1cccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ALDH1A1 P00352 11/20 0.36
ALOX15 P16050 9/20 0.36
KDM4E B2RXH2 8/20 0.36
HSD17B10 Q99714 6/20 0.36
GAA P10253 6/20 0.36
CASP1 P29466 5/20 0.36
CASP7 P55210 5/20 0.36
HPGD P15428 5/20 0.36
ALOX12 P18054 4/20 0.36
GLA P06280 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TSHR P16473 2/20 0.36
HCRTR1 O43613 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 2/20 0.35
MAPT P10636 3/20 0.34
RAB9A P51151 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
SCHEMBL28453996 0.78 CA1 (0.39) CA1CA2ALDH1A1GAATSHR
SCHEMBL1269231 0.76 MAPK1 (0.39) ALDH1A1ALOX15KDM4EKMT2AMAPT
SCHEMBL5644819 0.74 ALDH1A1 (0.40) CA1CA2ALDH1A1ALOX15KDM4E
SCHEMBL6563216 0.74 KIF11 (0.32)
SCHEMBL20176069 0.74 CYP1A2 (0.37) POLBHTTSMN1; SMN2CYP2A6LMNA
SCHEMBL6724604 0.72 CASR (0.37) CA1CA2ALDH1A1HSD17B10HPGD
SCHEMBL28297056 0.71 ALDH1A1 (0.48) CA1CA2ALDH1A1KDM4EHSD17B10
SCHEMBL6711112 0.70 CA1 (0.41) CA1CA2ALDH1A1KDM4EHSD17B10
SCHEMBL28451515 0.68 TSHR (0.40) ALDH1A1GAATSHRCYP2A6
SCHEMBL4770081 0.68 ALDH1A1 (0.44) CA1CA2ALDH1A1KDM4EHSD17B10

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-6677461-B2 CYANOSILATION CATALYST JAPAN AS REPRESENTED BY PRESIDENT OF THE UNIVERSITY OF TOKYO (JP) 2004-01-13 US disclosed
US-20030119659-A1 Ligands and asymmetric catalysts made by using the same JAPAN AS REPRESENTED BY PRESIDENT OF THE UNIVERSITY OF TOKYO (JP) 2003-06-26 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-20030119659-A1 Ligands and asymmetric catalysts made by using the same AP2A1, AP3D1, AP3M1 CA1 2967/4885CA2 2552/4885ALDH1A1 492/4885

“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.