SCHEMBL3700317

SCHEMBL3700317

C=CC[Si](C)(C)c1ccccc1Br

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ALDH1A1 P00352 1/20 0.32
TSHR P16473 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.30
BLM P54132 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL7737512 0.79 RXFP1 (0.33) NR1H2NR1H3ALDH1A1LMNA
SCHEMBL10941267 0.78 NR1H2 (0.38) NR1H2NR1H3ALDH1A1TSHR
SCHEMBL10913604 0.78 ALDH1A1 (0.39) NR1H2NR1H3ALDH1A1TSHR
SCHEMBL18796002 0.77 NR1H2 (0.37) NR1H2NR1H3ALDH1A1TSHR
SCHEMBL2003493 0.74 APOBEC3G (0.38) NR1H2NR1H3ALDH1A1
SCHEMBL9179552 0.74 ALDH1A1 (0.36) NR1H2NR1H3ALDH1A1TSHRCYP1A2
SCHEMBL1147728 0.71 NR1H2 (0.53) NR1H2NR1H3ALDH1A1TSHRCYP2C19
SCHEMBL31168893 0.69 ALDH1A1 (0.43) ALDH1A1TSHRCYP1A2CYP2D6NFKB1
SCHEMBL3761218 0.69 ALDH1A1 (0.43) ALDH1A1TSHRCYP1A2CYP2D6NFKB1
SCHEMBL7737525 0.68 NR1H2 (0.54) NR1H2NR1H3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933276-B2 Heterogeneous chiral catalyst AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-01-13 US disclosed
EP-1973656-B1 HETEROGENEOUS CHIRAL CATALYST AGENCY SCIENCE TECH & RES (SG) 2012-05-16 EP disclosed
US-20090281358-A1 HETEROGENEOUS CHIRAL CATALYST AGENCY FOR SCIENCE TECHNOLOGY AND RESEARCH (SG) 2009-11-12 US disclosed
EP-1973656-A4 HETEROGENEOUS CHIRAL CATALYST AGENCY SCIENCE TECH & RES (SG) 2009-08-05 EP disclosed
EP-1973656-A1 HETEROGENEOUS CHIRAL CATALYST Agency for Science, Technology and Research (SG) 2008-10-01 EP disclosed
WO-2007084075-A1 HETEROGENEOUS CHIRAL CATALYST AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2007-07-26 WO 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-20090281358-A1 HETEROGENEOUS CHIRAL CATALYST FDFT1, DCAF1, AGL NR1H2 508/4885NR1H3 342/4885ALDH1A1 920/4885

“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.