SCHEMBL2809804

SCHEMBL2809804

CC(C)(CCc1ccc(Br)cc1)[Si](C)(C)O[Si](C)(C)C(C)(C)CCc1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.40
HTR2A P28223 1/20 0.39
IDO1 P14902 2/20 0.38
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
DHFR P00374 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
SCHEMBL7068809 0.82 GFER (0.45) ALDH1A1
SCHEMBL3819186 0.81 IDO1 (0.41) TAAR1HTR2AIDO1ALDH1A1KDM4E
SCHEMBL11948259 0.80 TAAR1 (0.41) TAAR1HTR2APOLBCTDSP1
SCHEMBL7795405 0.76 TAAR1 (0.35) TAAR1HTR2A
SCHEMBL9813439 0.76 TAAR1 (0.35) TAAR1HTR2AIDO1ALDH1A1KDM4E
SCHEMBL2600041 0.74 TAAR1 (0.50) TAAR1HTR2AIDO1POLBCTDSP1
SCHEMBL6212376 0.73 WNT3A (0.34)
SCHEMBL7005101 0.73 TAAR1 (0.45) TAAR1HTR2AIDO1POLBCTDSP1
SCHEMBL6212657 0.71 EP300 (0.35)
SCHEMBL2809807 0.71 TAAR1 (0.40) TAAR1HTR2AIDO1POLBCTDSP1

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-20100240612-A1 Prenylated Bisphosphonates as Anti-tuberculosis Agents UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2010-09-23 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-20100240612-A1 Prenylated Bisphosphonates as Anti-tuberculosis Agents GGPS1, FDPS, DCTPP1 TAAR1 4284/4885HTR2A 4880/4885IDO1 4163/4885

“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.