SCHEMBL2173787

SCHEMBL2173787

CC1(COc2cccc(C=O)c2)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.49
MAOB P27338 7/20 0.49
HPGD P15428 3/20 0.48
PARP1 P09874 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
SRC P12931 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL13881641 1.00 MAOA (0.49) MAOAMAOBHPGDPARP1NPC1
SCHEMBL4569055 0.83 MAOA (0.49) MAOAMAOBHPGDNPC1RAB9A
SCHEMBL13881624 0.83 MAOA (0.49) MAOAMAOBHPGDNPC1RAB9A
SCHEMBL1299701 0.82 HPGD (0.63) HPGDPARP1RAB9ATDP1ALDH1A1
SCHEMBL15223544 0.81 HPGD (0.40) MAOAMAOBHPGDPARP1NPC1
SCHEMBL2174757 0.78 PARP1 (0.79) MAOAMAOBHPGDPARP1MEN1
SCHEMBL2174761 0.78 PARP1 (0.79) MAOAMAOBHPGDPARP1MEN1
SCHEMBL12406319 0.78 PARP1 (0.79) MAOAMAOBHPGDPARP1MEN1
SCHEMBL13881554 0.75 HPGD (0.43) HPGDPARP1TDP1ALDH1A1MEN1
SCHEMBL13881555 0.75 HPGD (0.43) HPGDPARP1TDP1ALDH1A1MEN1

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 3 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
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 MAOA 2761/4885MAOB 2488/4885HPGD 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.