SCHEMBL215501

SCHEMBL215501

C=CCOCCCCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.37
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 1/20 0.33
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
CA7 P43166 1/20 0.32
PLA2G2C Q5R387 1/20 0.30
RARB P10826 1/20 0.30

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
SCHEMBL9337831 0.98 TDP1 (0.43) TDP1MEN1KMT2APOLBLMNA
SCHEMBL3095348 0.98 TDP1 (0.43) TDP1MEN1KMT2APOLBLMNA
SCHEMBL2124576 0.98 TDP1 (0.43) TDP1MEN1KMT2APOLBLMNA
SCHEMBL14571178 0.93 TDP1 (0.46) TDP1MEN1KMT2APOLBLMNA
SCHEMBL1645830 0.84
SCHEMBL21339941 0.82 LMNA (0.48) TDP1MEN1KMT2APOLBLMNA
SCHEMBL827143 0.81 POLB (0.48) TDP1MEN1KMT2APOLBCA1
SCHEMBL13213048 0.80 MEN1 (0.40) TDP1MEN1KMT2APOLBPLA2G2C
SCHEMBL16080807 0.80 TDP1 (0.55) TDP1MEN1KMT2APOLBCA1
SCHEMBL11327845 0.79 TSHR (0.41) TDP1LMNACYP3A4PLA2G2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088725-B2 Fragrance compositions and compounds GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2012-01-03 US disclosed
US-20100132249-A1 Fragrance Compositions and Compounds GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2010-06-03 US disclosed
EP-2118249-A2 FRAGRANCE COMPOSITIONS AND COMPOUNDS Givaudan Nederland Services B.V. (NL) 2009-11-18 EP disclosed
WO-2008092678-A2 FRAGRANCE COMPOSITIONS AND COMPOUNDS GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-08-07 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-20100132249-A1 Fragrance Compositions and Compounds H1-0, H1-10, H1-5 TDP1 3227/4885MEN1 1171/4885KMT2A 574/4885

“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.