SCHEMBL469664

SCHEMBL469664

CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)Oc1ccccc1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.73
MEN1 O00255 1/20 0.73
RECQL P46063 1/20 0.73
KMT2A Q03164 1/20 0.73
POLM Q9NP87 1/20 0.56
POLK Q9UBT6 1/20 0.56
POLL Q9UGP5 1/20 0.56
POLH Q9Y253 1/20 0.56
HTR2A P28223 2/20 0.52
F7 P08709 4/20 0.51
F3 P13726 4/20 0.51
FFAR1 O14842 3/20 0.51
PPARG P37231 3/20 0.51
PPARD Q03181 3/20 0.51
PPARA Q07869 3/20 0.51
PTGS1 P23219 2/20 0.51
ESR1 P03372 1/20 0.51
SRD5A2 P31213 1/20 0.51
CASP6 P55212 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL8439129 1.00 KDM4E (0.73) KDM4EMEN1RECQLKMT2APOLM
SCHEMBL16800411 0.99 KDM4E (0.71) KDM4EMEN1RECQLKMT2APOLM
SCHEMBL17369041 0.99 KDM4E (0.71) KDM4EMEN1RECQLKMT2APOLM
SCHEMBL16800410 0.97 KDM4E (0.73) KDM4EMEN1RECQLKMT2APOLM
SCHEMBL8814970 0.97 KDM4E (0.73) KDM4EMEN1RECQLKMT2APOLM
SCHEMBL8814964 0.97 KDM4E (0.73) KDM4EMEN1RECQLKMT2APOLM
SCHEMBL7710665 0.96 KDM4E (0.75) KDM4EMEN1RECQLKMT2APOLM
SCHEMBL454163 0.96 KDM4E (0.75) KDM4EMEN1RECQLKMT2APOLM
SCHEMBL17369039 0.96 KDM4E (0.75) KDM4EMEN1RECQLKMT2APOLM
SCHEMBL16770314 0.91 KDM4E (0.71) KDM4EMEN1RECQLKMT2APOLM

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 14 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-20160120995-A1 CONJUGATES OF POLYUNSATURATED FATTY ACIDS AND AMINE-CONTAINING COMPOUNDS AND USES THEREOF MEDWELL LAB LTD (IL) 2016-05-05 US disclosed
US-20150374839-A1 NOVEL FATTY ACID-SALICYLATE CONJUGATES WITH ENHANCED THERAPEUTIC PROPERTIES KEAN UNIVERSITY (US) 2015-12-31 US disclosed
US-20150374839-A1 NOVEL FATTY ACID-SALICYLATE CONJUGATES WITH ENHANCED THERAPEUTIC PROPERTIES KEAN UNIVERSITY (US) 2015-12-31 US disclosed
US-9056139-B2 Fatty acid-salicylate conjugates with enhanced therapeutic properties KEAN UNIVERSITY (US) 2015-06-16 US disclosed
US-9056139-B2 Fatty acid-salicylate conjugates with enhanced therapeutic properties KEAN UNIVERSITY (US) 2015-06-16 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
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
US-5990164-A CARDIOVASCULAR DISORDERS, ANTIDIABETIC AGENTS, SKIN DISEASES, ANTIINFLAMMATORY AND -CARCINOGENIC AGENTS, IMMUNOLOGICAL DISEASES, PSYCHOLOGICAL AND SKIN DISORDERS; WATER SOLUBLE; NUTRIENTS; FOODS; TOPICAL SCOTIA HOLDINGS PLC (GB) 1999-11-23 US disclosed
EP-0821663-A1 FATTY ACID DERIVATIVES SCOTIA HOLDINGS PLC (GB) 1998-02-04 EP disclosed
WO-1996033155-A1 FATTY ACID DERIVATIVES SCOTIA HOLDINGS PLC (GB) 1996-10-24 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 (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-20130158070-A1 CONJUGATES OF POLYUNSATURATED FATTY ACIDS AND AMINE-CONTAINING COMPOUNDS AND USES THEREOF ALOX5, ALOX15B, ALOX15 KDM4E 3469/4885MEN1 4145/4885RECQL 3055/4885
US-20160120995-A1 CONJUGATES OF POLYUNSATURATED FATTY ACIDS AND AMINE-CONTAINING COMPOUNDS AND USES THEREOF ALOX5, ALOX15B, ALOX15 KDM4E 3431/4885MEN1 4304/4885RECQL 3054/4885
US-20150374839-A1 NOVEL FATTY ACID-SALICYLATE CONJUGATES WITH ENHANCED THERAPEUTIC PROPERTIES FASN, ELOVL1, ELOVL3 KDM4E 2152/4885MEN1 4457/4885RECQL 3422/4885

“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.