SCHEMBL2188785

SCHEMBL2188785

CCCCCN(CCc1cccnc1)C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TRPV1 Q8NER1 7/20 0.51
CHRNA7 P36544 2/20 0.48
TBXAS1 P24557 7/20 0.47
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45

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
SCHEMBL2186172 0.89 TDP1 (0.52) TDP1L3MBTL1TRPV1MEN1KMT2A
SCHEMBL2185690 0.86 TDP1 (0.63) TDP1L3MBTL1TRPV1CHRNA7TBXAS1
SCHEMBL2187950 0.84 LMNA (0.44) TRPV1
SCHEMBL12277694 0.79 CHRNA7 (0.53) TDP1L3MBTL1CHRNA7TBXAS1
Bicarbonate SCHEMBL9520572 0.78 TDP1 (0.83) TDP1L3MBTL1TRPV1TBXAS1
SCHEMBL2186007 0.77 CHRNB2 (0.54) MEN1KMT2A
Bicarbonate SCHEMBL9520418 0.77 TDP1 (0.81) TDP1L3MBTL1TRPV1TBXAS1
Bicarbonate SCHEMBL9520058 0.77 TDP1 (0.81) TDP1L3MBTL1TRPV1TBXAS1
Bicarbonate SCHEMBL9522368 0.77 TDP1 (0.81) TDP1L3MBTL1TRPV1TBXAS1
Acetic Acid SCHEMBL17273314 0.77 TDP1 (0.81) TDP1L3MBTL1TRPV1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US claimed
EP-2342180-A2 ORGANIC COMPOUNDS SUITABLE FOR MODULATING FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2011-07-13 EP claimed
WO-2010037244-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-04-08 WO claimed
US-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US disclosed
US-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US disclosed
US-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US disclosed
EP-2342180-A2 ORGANIC COMPOUNDS SUITABLE FOR MODULATING FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2011-07-13 EP disclosed
WO-2010037244-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-04-08 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-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions CYP2A6, CYP2B6, CYP2A13 TDP1 3040/4885L3MBTL1 4165/4885TRPV1 125/4885

“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.