SCHEMBL6228906

SCHEMBL6228906

ClP(Cl)(Cl)(Oc1c(Br)cc(Br)cc1Br)Oc1c(Br)cc(Br)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ ALOX15 P16050 4/20 0.34
▸ ALOX12 P18054 3/20 0.34
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ AKR1B1 P15121 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CA2 P00918 1/20 0.30
▸ CA4 P22748 1/20 0.30
▸ AHR P35869 1/20 0.30

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
SCHEMBL6229593 0.85 HSD17B10 (0.39) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL28049518 0.70 TSHR (0.36) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL3803700 0.69 TDP1 (0.45) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL94118 0.69 KLK1 (0.45) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL11451272 0.69 TSHR (0.39) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL27503034 0.67 TSHR (0.43) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL6285005 0.67 MEN1 (0.55) TDP1CYP3A4TSHRHSD17B10ALOX15
SCHEMBL9240974 0.67 KLK1 (0.53) TDP1CYP3A4TSHRALDH1A1
SCHEMBL9241719 0.67 KLK1 (0.48) TDP1CYP3A4TSHRALDH1A1L3MBTL1
SCHEMBL28973883 0.65 TDP1 (0.41) TDP1CYP3A4TSHRHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539725-A1 3-(3,5-DISUBSTITUTED-4-HYDROXYPHENYL)PROPIONAMIDE DERIVATIVES AS CATHEPSIN B INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-06-15 — — EP disclosed
EP-0948514-B1 METHOD FOR THE SYNTHESIS OF NUCLEOTIDE OR OLIGONUCLEOTIDE PHOSPHORAMIDITES ISIS PHARMACEUTICALS INC (US) 2005-04-27 — — EP disclosed
WO-2004026851-A1 3-(3,5-DISUBSTITUTED-4-HYDROXYPHENYL)PROPIONAMIDE DERIVATIVES AS CATHEPSIN B INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-04-01 — — WO disclosed
US-20030013864-A1 Method for the synthesis of nucleotide of oligonucleotide phosphoramidites GRIFFEY RICHARD H (US) 2003-01-16 — — US disclosed
US-6458941-B1 RECOVERED FROM WASTE PRODUCTS OF OLIGONUCLEOTIDE BIOSYNTHESIS ISIS PHARMACEUTICALS, INC. 2002-10-01 — — US disclosed
US-6441150-B1 GENETIC ENGINEERING ISIS PHARMACEUTICALS, INC. 2002-08-27 — — US disclosed
US-6103891-A Method for the synthesis of nucleotide or oligonucleotide phosphoramidites ISIS PHARMACEUTICALS, INC. (US) 2000-08-15 — — US disclosed
US-5955600-A Method for the synthesis of nucleotide or oligonucleotide phosphoramidites ISIS PHARMACEUTICALS, INC. (US) 1999-09-21 — — 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-20030013864-A1 Method for the synthesis of nucleotide of oligonucleotide phosphoramidites NUDT1, MTAP, PHOSPHO1 TDP1 251/4885CYP3A4 1883/4885TSHR 783/4885

“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.

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