SCHEMBL1777985

SCHEMBL1777985

COC(=O)c1ccc2ccc(OCc3ccccc3)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.60
NPC1 O15118 3/20 0.60
MAPT P10636 3/20 0.60
MRGPRX4 Q96LA9 3/20 0.58
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
MAOB P27338 1/20 0.55
NR4A1 P22736 1/20 0.54
NR4A2 P43354 1/20 0.54
NR4A3 Q92570 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
RAB9A P51151 2/20 0.52
P2RY14 Q15391 1/20 0.52
GAA P10253 1/20 0.52
XBP1 P17861 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LNPEP Q9UIQ6 2/20 0.52
PARP10 Q53GL7 1/20 0.51

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
SCHEMBL1779167 0.97 ALOX5 (0.59) ALOX5NPC1MAPTMRGPRX4LMNA
SCHEMBL28152490 0.93 ALOX5 (0.67) ALOX5NPC1MAPTMRGPRX4LMNA
SCHEMBL9268448 0.89 NPC1 (0.71) ALOX5NPC1MAPTMRGPRX4LMNA
SCHEMBL9574659 0.89 MRGPRX4 (0.64) NPC1MAPTMRGPRX4LMNAMAOB
SCHEMBL4254032 0.88 ALOX5 (0.62) ALOX5NPC1MAPTMRGPRX4LMNA
SCHEMBL10615958 0.88 NPC1 (0.58) NPC1MAPTMRGPRX4NR4A1NR4A2
SCHEMBL4258805 0.86 MRGPRX4 (0.76) ALOX5NPC1MAPTMRGPRX4HPGD
SCHEMBL7939669 0.86 LMNA (0.53) NPC1MAPTMRGPRX4LMNAHPGD
SCHEMBL31556116 0.85 MAOB (0.58) ALOX5NPC1MAPTMRGPRX4LMNA
SCHEMBL3235219 0.85 ALOX5 (0.61) ALOX5NPC1MAPTMRGPRX4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943795-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-05-17 US disclosed
US-7943795-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-05-17 US disclosed
US-7943795-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-05-17 US disclosed
US-20090234001-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-17 US disclosed
US-20090234001-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-17 US disclosed
US-20090234001-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-17 US disclosed
EP-1836151-B1 VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2009-04-01 EP disclosed
EP-1836151-B1 VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2009-04-01 EP disclosed
EP-1836151-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2007-09-26 EP disclosed
WO-2006069153-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-06-29 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-20090234001-A1 VITAMIN D RECEPTOR MODULATORS VDR, CYP2R1, CYP24A1 ALOX5 329/4885NPC1 179/4885MAPT 4667/4885

“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.