SCHEMBL17894446

SCHEMBL17894446

O=Cc1cccc(OCc2ccc(Cl)cc2Cl)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.54
FABP4 P15090 1/20 0.54
FABP5 Q01469 1/20 0.54
NR4A2 P43354 2/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
POLB P06746 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 4/20 0.46
CYP2C9 P11712 4/20 0.46
PTGER1 P34995 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HDAC8 Q9BY41 1/20 0.45
KMT2A Q03164 3/20 0.44
USP2 O75604 1/20 0.44
NCOA1 Q15788 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
SCHEMBL17894383 0.89 MAPT (0.43) FABP3FABP4FABP5POLBMAPT
SCHEMBL8371564 0.89 POLB (0.54) FABP3FABP4FABP5NR4A2NR4A1
SCHEMBL17894480 0.86 CYP1A2 (0.40) FABP3FABP4FABP5POLBMAPT
SCHEMBL17894452 0.81 IDO1 (0.47) FABP4FABP5POLBMAPTKDM4E
SCHEMBL17894466 0.80 ENPP2 (0.56) CYP1A2CYP2C9L3MBTL1ALDH1A1KMT2A
SCHEMBL17894448 0.80 MAPT (0.55) MAPTKDM4ECYP1A2CYP2C9L3MBTL1
SCHEMBL15678979 0.77 MAPT (0.47) FABP3FABP4FABP5NR4A2POLB
SCHEMBL17894427 0.76 TLR2 (0.46) POLBMAPTKDM4EALDH1A1KMT2A
SCHEMBL17894396 0.76 NPC1 (0.51) MAPTPTGER1L3MBTL1ALDH1A1KMT2A
SCHEMBL30276627 0.76 PTGER1 (0.48) CYP1A2CYP2C9PTGER1HPDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 US disclosed
EP-3240775-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS Swansea University (GB) 2017-11-08 EP disclosed
WO-2016108045-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS SWANSEA UNIVERSITY (GB) 2016-07-07 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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS ZYX, MPO, CFB FABP3 2319/4885FABP4 2401/4885FABP5 1109/4885

“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.