SCHEMBL13652985

SCHEMBL13652985

Oc1ccc(-c2ccc(F)cc2F)cc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 2/20 0.59
▸ ACMSD Q8TDX5 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ USP2 O75604 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ DHFR P00374 1/20 0.59
▸ CA1 P00915 1/20 0.59
▸ CA2 P00918 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ ALB P02768 1/20 0.59
▸ HMGB1 P09429 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ CXCL12 P48061 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ SLC22A6 Q4U2R8 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ ESR1 P03372 3/20 0.43
▸ ESR2 Q92731 3/20 0.43

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
SCHEMBL26621335 0.83 ACMSD (0.42) TTRACMSDKDM4EMEN1USP2
SCHEMBL17027279 0.80 CA3 (0.52) TTRACMSDKDM4EMEN1USP2
SCHEMBL15674473 0.79 ALOX15 (0.48) KDM4ELMNAHSD17B10ESR1ESR2
SCHEMBL13652988 0.79 ALDH1A1 (0.59) TTRACMSDKDM4EMEN1USP2
SCHEMBL2760398 0.79 TTR (0.59) TTRACMSDKDM4EMEN1USP2
SCHEMBL14408194 0.79 TTR (0.59) TTRACMSDKDM4EMEN1USP2
SCHEMBL29598727 0.78 — —
SCHEMBL91229 0.78 — —
SCHEMBL9041241 0.77 TTR (0.58) TTRACMSDKDM4EMEN1USP2
SCHEMBL13652987 0.76 TTR (0.60) TTRACMSDKDM4EMEN1USP2

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
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 — — US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 — — US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 — — US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 — — 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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES TTR 670/4885ACMSD 2417/4885KDM4E 4225/4885

“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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