SCHEMBL12406432

SCHEMBL12406432

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.58
▸ MEN1 O00255 6/20 0.58
▸ KMT2A Q03164 6/20 0.58
▸ ALDH1A1 P00352 6/20 0.58
▸ POLB P06746 4/20 0.58
▸ RECQL P46063 4/20 0.58
▸ HPGD P15428 1/20 0.58
▸ MAPK1 P28482 7/20 0.56
▸ TDP1 Q9NUW8 4/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ USP2 O75604 2/20 0.56
▸ HSD17B3 P37058 8/20 0.52
▸ HTT P42858 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CISD1 Q9NZ45 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ PKM P14618 1/20 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
SCHEMBL2175717 1.00 MAPT (0.58) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL2171095 0.86 SLC2A1 (0.58) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL12406522 0.86 SLC2A1 (0.58) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL2172638 0.85 HSD17B3 (0.60) MEN1KMT2AHPGDHSD17B3LMNA
SCHEMBL2172642 0.85 HSD17B3 (0.60) MEN1KMT2AHPGDHSD17B3LMNA
SCHEMBL2172515 0.79 HSD17B3 (0.46) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL2172512 0.79 HSD17B3 (0.46) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL2172364 0.78 MAPT (0.50) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL2172370 0.78 MAPT (0.50) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL2176166 0.76 HSD17B3 (0.61) MEN1KMT2AALDH1A1HSD17B3CISD1

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 MAPT 4264/4885MEN1 2122/4885KMT2A 1669/4885

“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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