SCHEMBL21869867

SCHEMBL21869867

O=C(c1c(Br)c(Br)c(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br)c1c(Br)c(Br)c(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.61
AKR1B1 P15121 2/20 0.31
ALOX15 P16050 1/20 0.30
ALOX12 P18054 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
SCHEMBL437021 0.80 PTPN1 (0.35) PTPN1AKR1B1ALOX15ALOX12
SCHEMBL10797071 0.80 PTPN1 (0.35) PTPN1AKR1B1ALOX15ALOX12
SCHEMBL33901 0.80 PTPN1 (0.35) PTPN1AKR1B1ALOX15ALOX12
SCHEMBL10338803 0.80 PTPN1 (0.35) PTPN1AKR1B1ALOX15ALOX12
SCHEMBL10455206 0.77 PTPN1 (0.33) PTPN1AKR1B1ALOX15ALOX12
SCHEMBL211401 0.77 PTPN1 (0.33) PTPN1AKR1B1ALOX15ALOX12
SCHEMBL27833662 0.76 PTPN1 (1.00) PTPN1
SCHEMBL21869868 0.73 ALOX15 (0.62) PTPN1AKR1B1ALOX15ALOX12
SCHEMBL30848916 0.69 PTPN1 (0.41) PTPN1ALOX15ALOX12
SCHEMBL11230186 0.69 CA1 (0.56) PTPN1AKR1B1ALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021425-B2 Polybrominated diphenyl-based flame retardant compounds INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2021-06-01 US disclosed
US-20200115308-A1 POLYBROMINATED DIPHENYL-BASED FLAME RETARDANT COMPOUNDS INTERNATIONAL BUSINESS MACHINES CORPORATION 2020-04-16 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 (2 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-11021425-B2 Polybrominated diphenyl-based flame retardant compounds PCBP1, FBL, PBRM1 PTPN1 3306/4885AKR1B1 1179/4885ALOX15 2324/4885
US-20200115308-A1 POLYBROMINATED DIPHENYL-BASED FLAME RETARDANT COMPOUNDS PCBP1, FBL, PBRM1 PTPN1 3306/4885AKR1B1 1179/4885ALOX15 2324/4885

“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.