SCHEMBL2175164

SCHEMBL2175164

CC1(CN2C(=O)SC(=Cc3ccccc3O)C2=O)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAT1 P18440 2/20 0.45
▸ AURKA O14965 1/20 0.45
▸ MTOR P42345 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ AKR1B1 P15121 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ CISD1 Q9NZ45 1/20 0.42
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA1 Q13131 1/20 0.42
▸ PRKAB1 Q9Y478 1/20 0.42
▸ NSD2 O96028 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41

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
SCHEMBL2175161 1.00 NAT1 (0.45) NAT1AURKAMTORMEN1KMT2A
SCHEMBL12406345 0.87 AKR1B1 (0.44) AURKAMTORMEN1KMT2AHPGD
SCHEMBL2171519 0.87 AKR1B1 (0.44) AURKAMTORMEN1KMT2AHPGD
SCHEMBL2171523 0.87 AKR1B1 (0.44) AURKAMTORMEN1KMT2AHPGD
SCHEMBL12406355 0.83 AURKA (0.54) AURKAMTORMEN1KMT2AALDH1A1
SCHEMBL2170996 0.81 AKR1B1 (0.57) AURKAMTORMEN1KMT2ATDP1
SCHEMBL2170994 0.81 AKR1B1 (0.57) AURKAMTORMEN1KMT2ATDP1
SCHEMBL2173804 0.80 AKR1B1 (0.60) NAT1AURKAMTORMEN1KMT2A
SCHEMBL2173806 0.80 AKR1B1 (0.60) NAT1AURKAMTORMEN1KMT2A
SCHEMBL12712426 0.79 AURKA (0.55) AURKAMTORMEN1KMT2ATDP1

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-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 — — US 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-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 — — 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-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS AR, ESRRB, KLK3 NAT1 132/4885AURKA 1403/4885MTOR 3342/4885

“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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