SCHEMBL3859348

SCHEMBL3859348

CCC(CC)(c1ccc(OC2CCCCC2=O)c(C)c1)c1ccc2oc(C(=O)O)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAOA P21397 9/20 0.43
MAOB P27338 3/20 0.43
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 2/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL3850761 0.91 NPC1 (0.42) KMT2AMEN1MAOAMAOBNPC1
SCHEMBL3858993 0.85 PIM1 (0.40) KMT2AMEN1PIM1PIM2LMNA
SCHEMBL3856552 0.83 PIM1 (0.43) KMT2AMEN1PIM1PIM2LMNA
SCHEMBL13714192 0.83 PIM1 (0.43) KMT2AMEN1PIM1PIM2LMNA
SCHEMBL5971064 0.81 KMT2A (0.42) KMT2AMEN1MAOAMAOBLMNA
SCHEMBL5971067 0.81 KMT2A (0.42) KMT2AMEN1MAOAMAOBLMNA
SCHEMBL13714064 0.79 PIM1 (0.40) KMT2AMEN1PIM1PIM2LMNA
SCHEMBL3854848 0.79 PIM1 (0.40) KMT2AMEN1PIM1PIM2LMNA
SCHEMBL3856199 0.76 PIM1 (0.33) KMT2AMEN1MAOAMAOBPIM1
SCHEMBL3856364 0.75 VDR (0.36) KMT2AMEN1ALDH1A1PKMHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579488-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-08-25 US disclosed
US-7579488-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-08-25 US disclosed
US-7579488-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-08-25 US disclosed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
EP-1687289-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-08-09 EP disclosed
WO-2005051938-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-09 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-20070106095-A1 Vitamin d receptor modulators VDR, CYP2R1, CYP24A1 KMT2A 4279/4885MEN1 3024/4885MAOA 4835/4885

“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.