SCHEMBL2173793

SCHEMBL2173793

CC(Oc1cccc(C=O)c1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.42
MAOA P21397 5/20 0.40
MAOB P27338 5/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
ALDH1A3 P47895 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SIRT1 Q96EB6 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD1 P21728 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL7832275 0.86 SLC6A2 (0.38) SRCMAOAMAOBCHRNB4CHRNA3
SCHEMBL1299966 0.81 ALDH1A3 (0.62) CHRNB4CHRNA3ALDH1A3NPC1RAB9A
SCHEMBL5728995 0.81 SLC6A3 (0.45)
SCHEMBL599867 0.81 ALDH1A3 (0.60) SRCMAOAMAOBALDH1A3NPC1
SCHEMBL29951428 0.81 ALDH1A3 (0.60) SRCMAOAMAOBALDH1A3NPC1
SCHEMBL29952000 0.79 HPGD (0.55) NPC1RAB9APOLBHPGDSMN1; SMN2
SCHEMBL18707182 0.77 CHRNB4 (0.43) CHRNB4CHRNA3NPC1RAB9AALDH1A1
SCHEMBL18706429 0.77 CHRNB4 (0.43) CHRNB4CHRNA3NPC1RAB9AALDH1A1
SCHEMBL18706431 0.77 CHRNB4 (0.43) CHRNB4CHRNA3NPC1RAB9AALDH1A1
SCHEMBL18706731 0.77 CHRNB4 (0.43) CHRNB4CHRNA3NPC1RAB9AALDH1A1

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
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
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
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 SRC 729/4885MAOA 2761/4885MAOB 2488/4885

“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.