SCHEMBL271765

SCHEMBL271765

O=CCCCC(=O)NN1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
HTT P42858 1/20 0.39
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
LIPE Q05469 1/20 0.34
MAPT P10636 3/20 0.33
HDAC1 Q13547 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 2/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 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
SCHEMBL271770 0.89 HTT (0.41) GNAI3GNAO1GNAI1HTTCNR2
SCHEMBL9345633 0.79 GNAI3 (0.44) GNAI3GNAO1GNAI1HTTCNR2
SCHEMBL24354751 0.79 ALDH1A1 (0.50) GNAI3GNAO1GNAI1HTTCNR2
SCHEMBL2364796 0.78 GNAI3 (0.58) GNAI3GNAO1GNAI1HTTCNR2
SCHEMBL2997271 0.78 GNAI3 (0.42) GNAI3GNAO1GNAI1HTTCNR2
SCHEMBL265501 0.77 ALDH1A1 (0.50) GNAI3GNAO1GNAI1HTTALDH1A1
SCHEMBL16405435 0.76 GNAI3 (0.60) GNAI3GNAO1GNAI1CNR2CNR1
SCHEMBL16010753 0.75 GNAI3 (0.69) GNAI3GNAO1GNAI1CNR2CNR1
SCHEMBL3868277 0.75 GNAI3 (0.69) GNAI3GNAO1GNAI1CNR2CNR1
SCHEMBL3974367 0.75 GNAI3 (0.69) GNAI3GNAO1GNAI1CNR2CNR1

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-8133888-B2 Hydrazide containing taxane conjugates SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2012-03-13 US disclosed
US-8133888-B2 Hydrazide containing taxane conjugates SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2012-03-13 US disclosed
US-20110172226-A1 NOVEL HYDRAZIDE CONTAINING TAXANE CONJUGATES SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2011-07-14 US disclosed
US-20110172226-A1 NOVEL HYDRAZIDE CONTAINING TAXANE CONJUGATES SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2011-07-14 US 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-20110172226-A1 NOVEL HYDRAZIDE CONTAINING TAXANE CONJUGATES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-3, H1-5 GNAI3 3216/4885GNAO1 1782/4885GNAI1 2775/4885

“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.