SCHEMBL2187950

SCHEMBL2187950

CCCCCN(CCc1ccncc1)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
CNR2 P34972 2/20 0.43
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NAAA Q02083 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
TRPV1 Q8NER1 2/20 0.39

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
SCHEMBL2187957 0.87 PDK1 (0.44) LMNASMN1; SMN2CNR2TSHRHPGD
SCHEMBL13393985 0.86 LMNA (0.41) LMNASMN1; SMN2HTTCNR2TSHR
SCHEMBL2188785 0.84 TDP1 (0.58) TRPV1
SCHEMBL2189225 0.84 LMNA (0.44) LMNASMN1; SMN2HTTTSHRHPGD
SCHEMBL13393957 0.78 LMNA (0.41) LMNASMN1; SMN2HTTTSHR
SCHEMBL7956550 0.78 CA12 (0.45) CA12CA1CA2
SCHEMBL1677569 0.78 NAAA (0.50) LMNASMN1; SMN2HTTCNR2TSHR
SCHEMBL2188170 0.77 HPGD (0.44) SMN1; SMN2HTTTSHRHPGD
SCHEMBL1678266 0.77 HPGD (0.49) SMN1; SMN2HPGDNAAA
SCHEMBL1678251 0.77 NAAA (0.52) LMNASMN1; SMN2HTTCNR2TSHR

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 LMNA 4127/4885SMN1; SMN2 4456/4885HTT 4204/4885

“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.