SCHEMBL4138469

SCHEMBL4138469

Cc1ccc(CCC(=O)CCc2ccc(C)o2)o1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
PKM P14618 5/20 0.54
POLB P06746 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 6/20 0.50
TSHR P16473 5/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALOX5 P09917 1/20 0.49
USP2 O75604 1/20 0.48
GLA P06280 1/20 0.48
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL11800602 0.93 MAPT (0.51) MAPTPKMPOLBNPC1RAB9A
SCHEMBL23735965 0.91 MAPT (0.50) MAPTPKMPOLBNPC1RAB9A
SCHEMBL22110976 0.91 MAPT (0.50) MAPTPKMPOLBNPC1RAB9A
SCHEMBL22328919 0.91 MAPT (0.50) MAPTPKMPOLBNPC1RAB9A
SCHEMBL11339768 0.90 USP2 (0.51) MAPTPKMPOLBNPC1RAB9A
SCHEMBL21174509 0.87 MAPT (0.50) MAPTPKMPOLBNPC1RAB9A
SCHEMBL8806385 0.86 PKM (0.53) MAPTPKMPOLBNPC1RAB9A
SCHEMBL8342486 0.86 ALDH1A1 (0.60) MAPTPKMPOLBNPC1RAB9A
SCHEMBL14761847 0.85 ALDH1A1 (0.52) MAPTPKMPOLBNPC1RAB9A
SCHEMBL14944103 0.84 POLB (0.53) MAPTPKMPOLBNPC1RAB9A

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-8580811-B2 Androgen receptor modulator methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
US-20120165362-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2012-06-28 US disclosed
US-8193357-B2 Androgen receptor modulator compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US disclosed
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-10-22 US disclosed
US-20090030027-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-01-29 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 (3 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-20090030027-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA MAPT 4308/4885PKM 2968/4885POLB 3139/4885
US-20120165362-A1 Androgen receptor modulator compounds and methods AR, NR5A1, ESRRA MAPT 4308/4885PKM 2968/4885POLB 3139/4885
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA MAPT 4308/4885PKM 2968/4885POLB 3139/4885

“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.