SCHEMBL584144

SCHEMBL584144

OCc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1I

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.51
F2 P00734 1/20 0.51
FFAR1 O14842 1/20 0.48
CTSG P08311 1/20 0.46
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
USP28 Q96RU2 1/20 0.45
USP25 Q9UHP3 1/20 0.45
LMNA P02545 2/20 0.44
PTGER1 P34995 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HTT P42858 1/20 0.44
LIPE Q05469 1/20 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
SCHEMBL584956 0.85 HTR1A (0.46) ELANEF2FFAR1HTR1ADRD2
SCHEMBL24983682 0.81 ELANE (0.49) ELANEF2CTSGHTR1ADRD2
SCHEMBL24983816 0.80 MAPT (0.51) ELANEF2CTSGHTR1ADRD2
SCHEMBL20755877 0.80 FFAR1 (0.57) FFAR1HTR1ADRD2LIPEMAPT
SCHEMBL1023923 0.79 ELANE (0.53) ELANEF2FFAR1CTSGHTR1A
SCHEMBL23640978 0.79 ELANE (0.53) ELANEF2CTSGHTR1ADRD2
SCHEMBL2212877 0.79 ALOX5 (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2853160 0.79 APP (0.49) ELANEF2FFAR1CTSGHTR1A
SCHEMBL8757373 0.78 ELANE (0.71) ELANEF2CTSGHTR1ADRD2
SCHEMBL10471107 0.77 FFAR1 (0.48) FFAR1HTR1ADRD2HDAC6LIPE

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
EP-2417119-B1 NO-CARRIER-ADDED NUCLEOPHILIC ÝF-18¨FLUORINATION OF AROMATIC COMPOUNDS UNIV CALIFORNIA (US) 2016-12-21 EP disclosed
US-8742139-B2 No-carrier-added nucleophilic [F-18] fluorination of aromatic compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-06-03 US disclosed
US-20120123120-A1 No-Carrier-Added Nucleophilic [F-18] Fluorination of Aromatic Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-17 US disclosed
EP-2417119-A2 NO-CARRIER-ADDED NUCLEOPHILIC ÝF-18¨FLUORINATION OF AROMATIC COMPOUNDS The Regents of The University of California (US) 2012-02-15 EP disclosed
WO-2010117435-A2 NO-CARRIER-ADDED NUCLEOPHILIC [F-18] FLUORINATION OF AROMATIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-14 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 (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-20120123120-A1 No-Carrier-Added Nucleophilic [F-18] Fluorination of Aromatic Compounds SLC18A1, SLC18A2, SLC6A2 ELANE 972/4885F2 3828/4885FFAR1 161/4885

“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.