SCHEMBL6669679

SCHEMBL6669679

Fc1cc(Br)ccc1CI

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.46
KDM1A O60341 3/20 0.41
AKR1B1 P15121 2/20 0.40
PDPK1 O15530 1/20 0.40
DGAT1 O75907 1/20 0.39
NAAA Q02083 1/20 0.39
TRAP1 Q12931 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
CHRM5 P08912 1/20 0.38
KDM1B Q8NB78 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HSP90B1 P14625 1/20 0.36

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
SCHEMBL5879 0.83 PDPK1 (0.44) PYCR1KDM1AAKR1B1PDPK1DGAT1
SCHEMBL2094594 0.82 PYCR1 (0.46) PYCR1KDM1AAKR1B1PDPK1DGAT1
SCHEMBL31448605 0.79 PYCR1 (0.47) PYCR1KDM1AAKR1B1PDPK1DGAT1
SCHEMBL20465750 0.79 PYCR1 (0.47) PYCR1KDM1AAKR1B1PDPK1DGAT1
SCHEMBL308050 0.79 PYCR1 (0.47) PYCR1KDM1AAKR1B1PDPK1DGAT1
SCHEMBL29393338 0.79 PYCR1 (0.47) PYCR1KDM1AAKR1B1PDPK1DGAT1
SCHEMBL15806743 0.79 PYCR1 (0.47) PYCR1KDM1AAKR1B1PDPK1DGAT1
SCHEMBL15654337 0.78 CYP2A6 (0.35) PYCR1HSP90AA1
SCHEMBL20465747 0.77 PYCR1 (0.46) PYCR1KDM1AAKR1B1PDPK1DGAT1
SCHEMBL12069853 0.77 PYCR1 (0.46) PYCR1KDM1AAKR1B1PDPK1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3112340-B1 METHOD FOR PRODUCING 4-BORONO-L-PHENYLALANINE HAVING 18F ATOM INTRODUCED THEREINTO, AND PRECURSOR OF 4-BORONO-L-PHENYLALANINE HAVING 18F ATOM INTRODUCED THEREINTO STELLA PHARMA CORP (JP) 2020-07-15 EP claimed
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR FUKANG (SHANGHAI) HEALTH TECHNOLOGY CO., LTD (CN) 2024-01-18 US disclosed
WO-2015188194-A1 COMPOSITIONS AND METHODS FOR ENHANCED INTESTINAL ABSORPTION OF CONJUGATED OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2015-12-10 WO disclosed
EP-1460110-A1 New halogeno-aromatic substituted indolestyryl dyes for optical data recording media CLARIANT INTERNATIONAL LTD. (CH) 2004-09-22 EP 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-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR PARP3, PARP1, PARP4 PYCR1 4393/4885KDM1A 1196/4885AKR1B1 728/4885

“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.