SCHEMBL1786361

SCHEMBL1786361

CC1(C)CC12CCC(Cc1ccc(Cl)cc1)C2=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.38
TSHR P16473 1/20 0.37
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HSD11B1 P28845 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CCR5 P51681 1/20 0.34
CMA1 P23946 1/20 0.34
CNR1 P21554 2/20 0.33
FFAR1 O14842 1/20 0.33
CNR2 P34972 1/20 0.33
CXCR3 P49682 1/20 0.33

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
SCHEMBL5350084 0.83 MAOB (0.40) MAOBTSHRTRPA1ALDH1A1SMN1; SMN2
SCHEMBL1785146 0.80 MAOB (0.42) MAOBTSHRALDH1A1HSD11B1SMN1; SMN2
SCHEMBL15641193 0.79 MAOB (0.38) MAOBTSHRTRPA1ALDH1A1HSD11B1
SCHEMBL15679103 0.79 MAOB (0.38) MAOBTSHRTRPA1ALDH1A1SMN1; SMN2
SCHEMBL17994026 0.78 TSHR (0.39) MAOBTSHRTRPA1ALDH1A1HSD11B1
SCHEMBL15641263 0.78 MAOB (0.37) MAOBTSHRTRPA1ALDH1A1HSD11B1
SCHEMBL16473223 0.78 MAOB (0.39) MAOBTSHRTRPA1ALDH1A1SMN1; SMN2
SCHEMBL9147038 0.78 TRPA1 (0.40) MAOBTSHRTRPA1ALDH1A1HSD11B1
SCHEMBL1783397 0.77 TSHR (0.44) MAOBTSHRTRPA1ALDH1A1CCR5
SCHEMBL9148468 0.77 HSD11B1 (0.40) MAOBTSHRTRPA1ALDH1A1HSD11B1

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 MAOB 3910/4885TSHR 3518/4885TRPA1 506/4885

“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.