SCHEMBL2230890

SCHEMBL2230890

Oc1c(Cl)c(Cl)c(Cl)c2c1O2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.65
TSHR P16473 4/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
HIF1A Q16665 1/20 0.33
MAPK1 P28482 2/20 0.32
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL5588712 0.85 AHR (0.69) AHRTSHRHPGDHSD17B10MEN1
SCHEMBL29350347 0.80 AHR (1.00) AHRTSHRHPGDHSD17B10MEN1
SCHEMBL5589574 0.76 AHR (0.55) AHRTSHRHPGDHSD17B10MEN1
SCHEMBL11662544 0.74 AHR (0.85) AHRTSHRALDH1A1
SCHEMBL5590332 0.72 AHR (0.50) AHRTSHRHPGDHSD17B10MEN1
SCHEMBL5589065 0.72 AHR (0.50) AHRTSHRHPGDHSD17B10MEN1
Pentachlorophenol SCHEMBL6761630 0.71 AHR (0.78) AHRTSHRHPGDHSD17B10MEN1
Pentachlorophenol SCHEMBL23121452 0.69 HSD17B10 (1.00) AHRTSHRHPGDHSD17B10MEN1
Pentachlorophenol SCHEMBL1492 0.69 HSD17B10 (1.00) AHRTSHRHPGDHSD17B10MEN1
Pentachlorophenol SCHEMBL1330735 0.69 HSD17B10 (1.00) AHRTSHRHPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110171279-A1 POLYETHYLENIMINE BIOCIDES NDSU RESEARCH FOUNDATION (US) 2011-07-14 US 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-20110171279-A1 POLYETHYLENIMINE BIOCIDES PHB1, PBRM1, PUF60 AHR 1208/4885TSHR 1120/4885HPGD 2574/4885

“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.