SCHEMBL584956

SCHEMBL584956

BrCc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
FFAR1 O14842 1/20 0.46
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
CCR5 P51681 1/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAOB P27338 1/20 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
SCHEMBL584144 0.85 ELANE (0.51) HTR1ADRD2FFAR1MAPTTDP1
SCHEMBL20755877 0.81 FFAR1 (0.57) HTR1ADRD2FFAR1MAPTTDP1
SCHEMBL1021663 0.80 CCR5 (0.48) HTR1ADRD2FFAR1MAPTTDP1
SCHEMBL10471107 0.79 FFAR1 (0.48) HTR1ADRD2FFAR1MAPTTDP1
SCHEMBL561222 0.78 HTR1A (0.67) HTR1ADRD2MAPTTDP1L3MBTL1
SCHEMBL4984703 0.76 KMT2A (0.61) MAPTL3MBTL1ALDH1A1RAB9ALMNA
SCHEMBL3236287 0.75 SLC2A1 (0.52) MAPTTDP1L3MBTL1MAPK1ALDH1A1
SCHEMBL30758619 0.75 CCR5 (0.56) CCR5ALDH1A1RAB9ALMNACYP1A2
SCHEMBL561347 0.75 CCR5 (0.68) CCR5ALDH1A1RAB9ALMNAMAOB
SCHEMBL30353418 0.75 CCR5 (0.68) CCR5ALDH1A1RAB9ALMNAMAOB

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 HTR1A 1060/4885DRD2 152/4885FFAR1 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.