SCHEMBL3766820

SCHEMBL3766820

C=C(NCCCCC)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.47
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NAAA Q02083 1/20 0.42
EPHX1 P07099 3/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
MLYCD O95822 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL23222128 0.83 L3MBTL1 (0.45) SMN1; SMN2LMNAHDAC1HDAC2L3MBTL1
SCHEMBL26428761 0.81 NAAA (0.65) HDAC3L3MBTL1NAAAEPHX1ALDH1A1
SCHEMBL13509604 0.79 L3MBTL1 (0.71) SMN1; SMN2HDAC3HDAC1HDAC2L3MBTL1
SCHEMBL10099595 0.78 L3MBTL1 (0.73) SMN1; SMN2HDAC3HDAC1HDAC2L3MBTL1
SCHEMBL10595825 0.78 L3MBTL1 (0.73) SMN1; SMN2HDAC3HDAC1HDAC2L3MBTL1
SCHEMBL10994444 0.78 L3MBTL1 (0.73) SMN1; SMN2HDAC3HDAC1HDAC2L3MBTL1
SCHEMBL5694370 0.78 L3MBTL1 (0.73) SMN1; SMN2HDAC3HDAC1HDAC2L3MBTL1
SCHEMBL23222118 0.77 LMNA (0.44) SMN1; SMN2LMNAHDAC1HDAC2L3MBTL1
SCHEMBL15086079 0.76 HTT (0.46) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL13603740 0.76 HDAC3 (0.55) SMN1; SMN2LMNAHDAC3HDAC1HDAC2

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
EP-1558384-B1 MIXTURES OF CHIRAL MONOPHOSPHORUS COMPOUNDS USED AS LIGAND SYSTEMS FOR ASYMMETRIC TRANSITION METAL CATALYSIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-03-25 EP disclosed
US-7704912-B2 Mixtures of chiral monophosphorus compounds used as ligand systems for asymmetric transition metal catalysis STUDIENGESELLSCHAFT KOHLE MBH (DE) 2010-04-27 US disclosed
US-20060014981-A1 Mixtures of chiral monophosphorus compounds used as ligand systems for asymmetric transition metal catalysis STUDIENGESELLSCHAFT KOHLE MBH (DE) 2006-01-19 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-20060014981-A1 Mixtures of chiral monophosphorus compounds used as ligand systems for asymmetric transition metal catalysis MDM4, HMBS, ICMT SMN1; SMN2 4731/4885LMNA 4315/4885HDAC3 4620/4885

“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.