SCHEMBL12406522

SCHEMBL12406522

O=C1S/C(=C\c2ccc(O)c(C(F)(F)F)c2)C(=O)N1CC1CCCCO1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.58
▸ MAPT P10636 8/20 0.56
▸ ALDH1A1 P00352 6/20 0.56
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ POLB P06746 4/20 0.56
▸ RECQL P46063 4/20 0.56
▸ HPGD P15428 1/20 0.56
▸ MAPK1 P28482 7/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ TDP1 Q9NUW8 4/20 0.54
▸ USP2 O75604 2/20 0.54
▸ HTT P42858 1/20 0.47
▸ LMNA P02545 1/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ S1PR1 P21453 1/20 0.43
▸ APEX1 P27695 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL2171095 1.00 SLC2A1 (0.58) SLC2A1MAPTALDH1A1MEN1KMT2A
SCHEMBL2175717 0.86 MAPT (0.58) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL12406432 0.86 MAPT (0.58) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL1614725 0.85 SLC2A1 (0.63) SLC2A1MAPTALDH1A1MEN1KMT2A
SCHEMBL2171564 0.85 SLC2A1 (0.63) SLC2A1MAPTALDH1A1MEN1KMT2A
SCHEMBL1614684 0.85 SLC2A1 (0.63) SLC2A1MAPTALDH1A1MEN1KMT2A
SCHEMBL2171569 0.85 SLC2A1 (0.63) SLC2A1MAPTALDH1A1MEN1KMT2A
SCHEMBL2171794 0.80 SLC2A1 (0.57) SLC2A1MAPTALDH1A1MEN1KMT2A
SCHEMBL2171796 0.80 SLC2A1 (0.57) SLC2A1MAPTALDH1A1MEN1KMT2A
SCHEMBL12406520 0.80 SLC2A1 (0.57) SLC2A1MAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 — — US disclosed
US-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 — — US disclosed
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 — — US disclosed
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 — — US disclosed
WO-2009105621-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-08-27 — — 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 (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-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS AR, ESRRB, KLK3 SLC2A1 2158/4885MAPT 4264/4885ALDH1A1 96/4885

“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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