SCHEMBL17413752

SCHEMBL17413752

FC(F)(F)C(F)(F)C(F)(F)c1nc(Cl)nc(C(F)(F)C(F)(F)C(F)(F)F)n1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL8504406 0.87 ELANE (0.31) —
SCHEMBL18015613 0.84 ALDH1A1 (0.37) ALDH1A1ALOX15TSHR
SCHEMBL4300065 0.76 LMNA (0.36) —
SCHEMBL6476727 0.76 LMNA (0.36) —
SCHEMBL31054444 0.74 ALDH1A1 (0.37) ALDH1A1ALOX15TSHR
SCHEMBL19327455 0.68 CCNE2 (0.35) —
SCHEMBL25012015 0.67 — —
SCHEMBL25011787 0.65 — —
SCHEMBL10711472 0.64 ALDH1A1 (0.44) ALDH1A1ALOX15TSHR
SCHEMBL10874600 0.61 ALDH1A1 (0.41) ALDH1A1ALOX15TSHR

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
US-20230403927-A1 AROMATIC COMPOUNDS UDC IRELAND LTD (IE) 2023-12-14 — — US disclosed
US-20230403927-A1 AROMATIC COMPOUNDS UDC IRELAND LTD (IE) 2023-12-14 — — US disclosed
US-11800787-B2 Metal complexes UDC IRELAND LIMITED (IE) 2023-10-24 — — US disclosed
US-11800787-B2 Metal complexes UDC IRELAND LIMITED (IE) 2023-10-24 — — US disclosed
EP-3160976-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-24 — — EP disclosed
US-20170141329-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-05-18 — — US disclosed
US-20170141329-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-05-18 — — US disclosed
WO-2016000803-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-01-07 — — 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 (3 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-20230403927-A1 AROMATIC COMPOUNDS TYR, CTCF, MITF ALDH1A1 1461/4885ALOX15 2972/4885TSHR 4417/4885
US-20170141329-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 ALDH1A1 3771/4885ALOX15 2869/4885TSHR 4518/4885
US-11800787-B2 Metal complexes AP1M1, SOD1, AP3M1 ALDH1A1 3771/4885ALOX15 2869/4885TSHR 4518/4885

“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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