SCHEMBL6716587

SCHEMBL6716587

CCCCCCCCCCCCCCCCC=COc1ccccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
RECQL P46063 1/20 0.52
SOAT2 O75908 1/20 0.46
SOAT1 P35610 1/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
NR1I2 O75469 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 3/20 0.45
PTPN11 Q06124 2/20 0.44
HTT P42858 1/20 0.44
FAAH O00519 3/20 0.44

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
SCHEMBL9513712 1.00 KDM4E (0.52) KDM4EMEN1KMT2ARECQLSOAT2
SCHEMBL31279976 1.00 KDM4E (0.52) KDM4EMEN1KMT2ARECQLSOAT2
SCHEMBL10892005 1.00 KDM4E (0.52) KDM4EMEN1KMT2ARECQLSOAT2
SCHEMBL9513715 1.00 KDM4E (0.52) KDM4EMEN1KMT2ARECQLSOAT2
SCHEMBL1225718 0.94 KDM4E (0.55) KDM4EMEN1KMT2ARECQLLMNA
SCHEMBL29518581 0.94 KDM4E (0.55) KDM4EMEN1KMT2ARECQLLMNA
SCHEMBL9565558 0.94 KDM4E (0.55) KDM4EMEN1KMT2ARECQLLMNA
SCHEMBL4667495 0.92 MEN1 (0.50) KDM4EMEN1KMT2ARECQLSOAT2
SCHEMBL4798077 0.89 KDM4E (0.47) KDM4EMEN1KMT2ARECQLSOAT2
Salicylic Acid SCHEMBL29596262 0.88 KDM4E (0.49) KDM4EMEN1KMT2ARECQLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977725-B1 NEW FATTY ACID DERIVATIVES CONPHARMA AS (NO) 2004-06-16 EP claimed
US-20040063677-A1 Methods of treating disorders using lipophilic derivatives NORSK HYDRO ASA 2004-04-01 US claimed
US-20030153544-A1 Lipophilic biologically active compound containing in its molecular structure one or more functional groups selected from alcohol, ether, phenyl, amino, amido, thiol, acid and ester in which one group is replaced by lipophilic group CONPHARMA AS (NO) 2003-08-14 US claimed
US-20010006962-A1 FATTY ACID DERIVATIVES NORSK HYDRO ASA (NO) 2001-07-05 US claimed
US-6762175-B2 LIPOPHILIC BIOLOGICALLY ACTIVE COMPOUND CONTAINING IN ITS MOLECULAR STRUCTURE ONE OR MORE FUNCTIONAL GROUPS SELECTED FROM ALCOHOL, ETHER, PHENYL, AMINO, AMIDO, THIOL, ACID AND ESTER IN WHICH ONE GROUP IS REPLACED BY LIPOPHILIC GROUP NORSK HYDRO ASA (NO) 2004-07-13 US disclosed
EP-0977725-B1 NEW FATTY ACID DERIVATIVES CONPHARMA AS (NO) 2004-06-16 EP disclosed
US-20040063677-A1 Methods of treating disorders using lipophilic derivatives NORSK HYDRO ASA 2004-04-01 US disclosed
US-20030153544-A1 Lipophilic biologically active compound containing in its molecular structure one or more functional groups selected from alcohol, ether, phenyl, amino, amido, thiol, acid and ester in which one group is replaced by lipophilic group CONPHARMA AS (NO) 2003-08-14 US disclosed
US-20010006962-A1 FATTY ACID DERIVATIVES NORSK HYDRO ASA (NO) 2001-07-05 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 (3 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-20010006962-A1 FATTY ACID DERIVATIVES HADH, NR1H2, NR1H3 KDM4E 2773/4885MEN1 4825/4885KMT2A 2289/4885
US-20040063677-A1 Methods of treating disorders using lipophilic derivatives NCEH1, NR1H2, NR1H3 KDM4E 3351/4885MEN1 3673/4885KMT2A 2536/4885
US-20030153544-A1 Lipophilic biologically active compound containing in its molecular structure one or more functional groups selected from alcohol, ether, phenyl, amino, amido, thiol, acid and ester in which one group is replaced by lipophilic group TSPO, NR1H2, NR1H3 KDM4E 3216/4885MEN1 4524/4885KMT2A 2650/4885

“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.