SCHEMBL3852830

SCHEMBL3852830

CCOC(=O)c1cc2cc(C(O)(CC)CC)cc(C)c2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 6/20 0.39
AKR1B1 P15121 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAOB P27338 3/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 8/20 0.36
MAPT P10636 4/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.36
MAOA P21397 1/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL26244631 0.81 L3MBTL1 (0.48) HDAC4HDAC6KDM4EAKR1B1MAOB
SCHEMBL3852084 0.80 ESR1 (0.51) KDM4EAKR1B1MAOBALDH1A1MAPT
SCHEMBL16046551 0.80 GPR35 (0.45) HDAC4HDAC6KDM4EAKR1B1MAOB
SCHEMBL3860660 0.80 MAOB (0.47) KDM4EAKR1B1NPSR1MAOBALDH1A1
SCHEMBL19188111 0.79 PIM1 (0.47) HDAC4HDAC6KDM4EAKR1B1MAOB
SCHEMBL15200323 0.78 HPGD (0.51) KDM4EMAOBGAAALDH1A1HPGD
Hydrochloric Acid SCHEMBL6981973 0.78 GAA (0.44) HDAC4HDAC6KDM4EAKR1B1MAOB
SCHEMBL26244513 0.76 AKR1B1 (0.42) HDAC4HDAC6KDM4EAKR1B1MAOB
SCHEMBL6979379 0.75 MAPT (0.55) GAAMAPTMEN1KMT2AL3MBTL1
SCHEMBL5311626 0.74 MAOA (0.53) HDAC4HDAC6KDM4EAKR1B1MAOB

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 HDAC4 318/4885HDAC6 4352/4885KDM4E 1681/4885

“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.