SCHEMBL1787216

SCHEMBL1787216

COC(=O)C1(CCBr)CCC(Cc2ccc(Cl)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
CCR5 P51681 1/20 0.33
SLC6A3 Q01959 2/20 0.33
MAPT P10636 1/20 0.33
EPHX1 P07099 1/20 0.33
ADAM17 P78536 1/20 0.32
TP53 P04637 1/20 0.32
MDM2 Q00987 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
SCHEMBL1787940 0.89 KMT2A (0.36) TSHRALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL28029632 0.87 TSHR (0.38) TSHRALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL9363325 0.81 POLB (0.39) TSHRALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL8744673 0.80 TSHR (0.39) TSHRALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL8830782 0.78 POLB (0.42) ALDH1A1SMN1; SMN2LMNAPOLBSLC6A3
SCHEMBL27962994 0.77 MAOB (0.36) TSHRALDH1A1SMN1; SMN2L3MBTL1CCR5
SCHEMBL8744676 0.77 TSHR (0.37) TSHRALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL2033491 0.72 POLB (0.43) ALDH1A1SMN1; SMN2LMNAPOLBSLC6A3
SCHEMBL15641263 0.71 MAOB (0.37) TSHRALDH1A1SMN1; SMN2L3MBTL1CCR5
SCHEMBL2034156 0.71 TRPA1 (0.36) TSHRALDH1A1SMN1; SMN2CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124877-A1 5-BENZYL-4-AZOLYLMETHYL-4-SPIRO[2.4]HEPTANOL DERIVATIVES, METHODS FOR PRODUCING THE SAME, AND AGRO-HORTICULTURAL AGENTS AND INDUSTRIAL MATERIAL PROTECTING AGENTS THEREOF KUREHA CORPORATION (JP) 2011-05-26 US disclosed
EP-2315752-A1 5-BENZYL-4-AZOLYLMETHYL-4-SPIRO[2.4]HEPTANOL DERIVATIVES, METHODS FOR PRODUCING THE SAME, AND AGRO-HORTICULTURAL AGENTS AND INDUSTRIAL MATERIAL PROTECTING AGENTS THEREOF Kureha Corporation (JP) 2011-05-04 EP disclosed
WO-2010023862-A1 5-BENZYL-4-AZOLYLMETHYL-4-SPIRO[2.4]HEPTANOL DERIVATIVES, METHODS FOR PRODUCING THE SAME, AND AGRO-HORTICULTURAL AGENTS AND INDUSTRIAL MATERIAL PROTECTING AGENTS THEREOF KUREHA CORPORATION (JP) 2010-03-04 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-20110124877-A1 5-BENZYL-4-AZOLYLMETHYL-4-SPIRO[2.4]HEPTANOL DERIVATIVES, METHODS FOR PRODUCING THE SAME, AND AGRO-HORTICULTURAL AGENTS AND INDUSTRIAL MATERIAL PROTECTING AGENTS THEREOF CYP8B1, CBR3, CBR1 TSHR 3518/4885ALDH1A1 861/4885SMN1; SMN2 3743/4885

“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.