SCHEMBL2172638

SCHEMBL2172638

O=C1S/C(=C\c2ccc(O)c(Br)c2)C(=O)N1CC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 9/20 0.60
▸ CISD1 Q9NZ45 2/20 0.49
▸ HPGD P15428 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ BAG3 O95817 1/20 0.46
▸ CGAS Q8N884 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ SLC2A1 P11166 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
SCHEMBL2172642 1.00 HSD17B3 (0.60) HSD17B3CISD1HPGDMEN1KMT2A
SCHEMBL12712434 0.87 BAG3 (0.51) HSD17B3HPGDMEN1KMT2ABAG3
SCHEMBL12712440 0.87 BAG3 (0.51) HSD17B3HPGDMEN1KMT2ABAG3
SCHEMBL12406432 0.85 MAPT (0.58) HSD17B3CISD1HPGDMEN1KMT2A
SCHEMBL2175717 0.85 MAPT (0.58) HSD17B3CISD1HPGDMEN1KMT2A
SCHEMBL1614684 0.84 SLC2A1 (0.63) HSD17B3HPGDMEN1KMT2ABAG3
SCHEMBL2171564 0.84 SLC2A1 (0.63) HSD17B3HPGDMEN1KMT2ABAG3
SCHEMBL2171569 0.84 SLC2A1 (0.63) HSD17B3HPGDMEN1KMT2ABAG3
SCHEMBL1614725 0.84 SLC2A1 (0.63) HSD17B3HPGDMEN1KMT2ABAG3
SCHEMBL1614983 0.82 HPGD (0.46) HSD17B3CISD1HPGDKMT2ACGAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254576-B1 ANDROGEN RECEPTOR-ABLATIVE AGENTS UNIV OHIO STATE RES FOUND (US) 2013-08-28 — — EP claimed
US-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 — — US claimed
EP-2254576-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS The Ohio State University Research Foundation (US) 2010-12-01 — — EP claimed
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 — — US claimed
WO-2009105621-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-08-27 — — WO claimed
EP-2254576-B1 ANDROGEN RECEPTOR-ABLATIVE AGENTS UNIV OHIO STATE RES FOUND (US) 2013-08-28 — — EP disclosed
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-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 — — US disclosed
EP-2254576-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS The Ohio State University Research Foundation (US) 2010-12-01 — — EP 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
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
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 HSD17B3 48/4885CISD1 1747/4885HPGD 183/4885

“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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