SCHEMBL1886121

SCHEMBL1886121

CCCCCC(C)(C)NC(=O)c1cc(OC)c(Br)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 7/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ACAT1 P24752 1/20 0.43
SOAT1 P35610 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL1886120 0.81 POLB (0.53) L3MBTL1HTTMAPTTP53CYP3A4
SCHEMBL1879427 0.77 HDAC3 (0.56) L3MBTL1HTTMAPTKDM4ETP53
SCHEMBL3079822 0.76 CNR1 (0.38) SMPD1
SCHEMBL3072804 0.72 HTT (0.55) L3MBTL1HTTMAPTKDM4ERAB9A
SCHEMBL1948576 0.72 MEN1 (0.46) L3MBTL1MAPTKDM4ETP53CYP3A4
SCHEMBL688943 0.71 MAPT (0.47) L3MBTL1MAPTKDM4ECYP3A4TSHR
SCHEMBL1947888 0.70 LMNA (0.41) L3MBTL1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1947907 0.70 MAPT (0.40) L3MBTL1HTTMAPTKDM4ETP53
SCHEMBL8085869 0.70 SMPD1 (0.68) SMPD1TP53HDAC3HDAC2
SCHEMBL31650388 0.70 ALDH1A1 (0.60) L3MBTL1HTTMAPTTSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939688-B2 Reacting N-alkylcarboxamides or ammonium salts of carboxylic acids in the presence of alkylamines or ammonium salts of in presence of 2,4,6-substituted 1,3,5,2,4,6-trioxatriphosphinane 2,4,6-trioxide and/or a base ARCHIMICA GMBH (DE) 2011-05-10 US disclosed
US-20080242884-A1 Process for Preparing Nitriles by Elimination Reactions EUTICALS GMBH (DE) 2008-10-02 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-20080242884-A1 Process for Preparing Nitriles by Elimination Reactions CBR1, CBR3, PHOSPHO1 SMPD1 3858/4885L3MBTL1 4371/4885HTT 2422/4885

“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.