SCHEMBL1787940

SCHEMBL1787940

COCCC1(C(=O)OC)CCC(Cc2ccc(Cl)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
GPBAR1 Q8TDU6 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MME P08473 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 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
SCHEMBL1787216 0.89 TSHR (0.36) MAPTTSHRALDH1A1TP53MDM2
SCHEMBL28029632 0.87 TSHR (0.38) KMT2AMEN1MAPTTSHRALDH1A1
SCHEMBL9363325 0.81 POLB (0.39) KMT2AMEN1MAPTATMTSHR
SCHEMBL8744673 0.80 TSHR (0.39) KMT2AMEN1ATMTSHRALDH1A1
SCHEMBL8830782 0.78 POLB (0.42) KMT2AMEN1MAPTALDH1A1TP53
SCHEMBL8744676 0.77 TSHR (0.37) KMT2ATSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL2033491 0.72 POLB (0.43) KMT2AMEN1MAPTALDH1A1TP53
SCHEMBL17589775 0.72 MAOB (0.36) TSHRALDH1A1TP53MDM2SMN1; SMN2
SCHEMBL2034156 0.71 TRPA1 (0.36) TSHRALDH1A1SMN1; SMN2
SCHEMBL8830795 0.71 POLB (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA

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 KMT2A 692/4885MEN1 705/4885MAPT 4734/4885

“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.