SCHEMBL1783397

SCHEMBL1783397

CC1(C(=O)O)CCC(Cc2ccc(Cl)cc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.38
TRPA1 O75762 1/20 0.38
CCR5 P51681 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
MAOB P27338 3/20 0.36
CHIT1 Q13231 1/20 0.36
KMT2A Q03164 2/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
OPRK1 P41145 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX1 P07099 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
CYP26A1 O43174 1/20 0.35

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
SCHEMBL8744673 0.85 TSHR (0.39) TSHRALDH1A1TRPA1CCR5LMNA
SCHEMBL5350084 0.81 MAOB (0.40) TSHRALDH1A1TRPA1CCR5LMNA
SCHEMBL17994026 0.79 TSHR (0.39) TSHRALDH1A1TRPA1CCR5LMNA
SCHEMBL17135362 0.77 TSHR (0.39) TSHRALDH1A1TRPA1CCR5LMNA
SCHEMBL1785146 0.77 MAOB (0.42) TSHRALDH1A1LMNAMAOB
SCHEMBL1786361 0.77 MAOB (0.38) TSHRALDH1A1TRPA1CCR5MAOB
SCHEMBL15641193 0.77 MAOB (0.38) TSHRALDH1A1TRPA1CCR5MAOB
SCHEMBL15679103 0.77 MAOB (0.38) TSHRALDH1A1TRPA1CCR5MAOB
SCHEMBL15641263 0.76 MAOB (0.37) TSHRALDH1A1TRPA1CCR5MAOB
SCHEMBL17135347 0.75 TSHR (0.41) TSHRTRPA1LMNAMAOBKMT2A

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-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

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 861/4885TRPA1 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.