SCHEMBL4080995

SCHEMBL4080995

O=C(Cc1ccc(OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1)NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.58
NPC1 O15118 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 5/20 0.49
LMNA P02545 2/20 0.49
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
EPHX2 P34913 2/20 0.48
MAPK1 P28482 1/20 0.48
P2RX7 Q99572 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KLKB1 P03952 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL3322044 0.85 EPHX2 (0.54) HPGDNPC1KMT2AMEN1ALDH1A1
SCHEMBL3323983 0.85 HPGD (0.56) HPGDKMT2AMEN1LMNAHTT
SCHEMBL13333553 0.85 CNR2 (0.50) NPC1ALDH1A1LMNAEPHX2MAPK1
SCHEMBL13333544 0.82 CNR2 (0.49) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL3323745 0.82 MEN1 (0.50) HPGDKMT2AMEN1ALDH1A1EPHX2
SCHEMBL3327170 0.79 EPHX2 (0.53) NPC1KMT2AMEN1ALDH1A1EPHX2
SCHEMBL13333545 0.78 MEN1 (0.56) HPGDKMT2AMEN1ALDH1A1HTT
SCHEMBL3322188 0.78 ALDH1A1 (0.49) NPC1KMT2AMEN1ALDH1A1LMNA
SCHEMBL13333547 0.75 HSD11B1 (0.54) KMT2AMEN1ALDH1A1LMNAEPHX2
SCHEMBL8389369 0.75 NPC1 (0.71) HPGDNPC1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 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 (2 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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 HPGD 330/4885NPC1 1106/4885KMT2A 3083/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 HPGD 3581/4885NPC1 2474/4885KMT2A 2533/4885

“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.