SCHEMBL469583

SCHEMBL469583

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)Nc1ncccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
FAAH O00519 3/20 0.47
MAPT P10636 3/20 0.45
DHODH Q02127 3/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 3/20 0.44
FFAR1 O14842 1/20 0.44
CYP19A1 P11511 1/20 0.44
RXRA P19793 1/20 0.44
PPARG P37231 1/20 0.44
OXER1 Q8TDS5 1/20 0.44
CNR1 P21554 2/20 0.44
EPHX2 P34913 2/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
CNR2 P34972 1/20 0.42
SREBF2 Q12772 1/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 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
SCHEMBL455015 1.00 ALDH1A1 (0.47) ALDH1A1FAAHMAPTDHODHMEN1
SCHEMBL23566412 0.83 SOAT2 (0.59) ALDH1A1FAAHMAPTMEN1KMT2A
SCHEMBL18640833 0.83 SOAT2 (0.59) ALDH1A1FAAHMAPTMEN1KMT2A
SCHEMBL454376 0.81 SOAT2 (0.62) FAAHMEN1KMT2ACNR1EPHX2
SCHEMBL13789621 0.80 DHODH (0.55) ALDH1A1MAPTDHODHMEN1KMT2A
SCHEMBL18640835 0.76 LMNA (0.56) DHODHMEN1KMT2AHTTEPHX2
SCHEMBL18640734 0.76 LMNA (0.56) DHODHMEN1KMT2AHTTEPHX2
SCHEMBL1185073 0.75 HTT (0.52) ALDH1A1MAPTDHODHMEN1KMT2A
SCHEMBL31439510 0.74 DHODH (0.55) ALDH1A1MAPTDHODHMEN1KMT2A
SCHEMBL30480568 0.73 EPHX2 (0.60) ALDH1A1FAAHMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160120995-A1 CONJUGATES OF POLYUNSATURATED FATTY ACIDS AND AMINE-CONTAINING COMPOUNDS AND USES THEREOF MEDWELL LAB LTD (IL) 2016-05-05 US disclosed
US-20160120995-A1 CONJUGATES OF POLYUNSATURATED FATTY ACIDS AND AMINE-CONTAINING COMPOUNDS AND USES THEREOF MEDWELL LAB LTD (IL) 2016-05-05 US disclosed
US-20130158070-A1 CONJUGATES OF POLYUNSATURATED FATTY ACIDS AND AMINE-CONTAINING COMPOUNDS AND USES THEREOF MEDWELL LABORATORIES LTD. (IL) 2013-06-20 US disclosed
US-20130158070-A1 CONJUGATES OF POLYUNSATURATED FATTY ACIDS AND AMINE-CONTAINING COMPOUNDS AND USES THEREOF MEDWELL LABORATORIES LTD. (IL) 2013-06-20 US disclosed
WO-2012032509-A2 CONJUGATES OF POLYUNSATURATED FATTY ACIDS AND AMINE-CONTAINING COMPOUNDS AND USES THEREOF MEDWELL LABORATORIES LTD. (IL) 2012-03-15 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 (2 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-20130158070-A1 CONJUGATES OF POLYUNSATURATED FATTY ACIDS AND AMINE-CONTAINING COMPOUNDS AND USES THEREOF ALOX5, ALOX15B, ALOX15 ALDH1A1 241/4885FAAH 41/4885MAPT 1324/4885
US-20160120995-A1 CONJUGATES OF POLYUNSATURATED FATTY ACIDS AND AMINE-CONTAINING COMPOUNDS AND USES THEREOF ALOX5, ALOX15B, ALOX15 ALDH1A1 230/4885FAAH 43/4885MAPT 1286/4885

“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.