SCHEMBL1778121

SCHEMBL1778121

CCC(Br)C(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.39
LCK P06239 1/20 0.32
PPARD Q03181 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
TSHR P16473 2/20 0.32
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL11009629 0.77
SCHEMBL18113926 0.77 FAAH (0.33) ALDH1A1KMT2ALCKPPARDZDHHC20
SCHEMBL10001206 0.77 LCK (0.50) LCKPPARDZDHHC20ZDHHC2TSHR
SCHEMBL27459161 0.75 RNPEP (0.34) ALDH1A1
SCHEMBL4483619 0.75 DGAT1 (0.43) ALDH1A1KMT2ACA2
SCHEMBL10001215 0.73 LCK (0.62) LCKPPARDZDHHC20ZDHHC2CA2
SCHEMBL14519715 0.72 CA2 (0.42) KMT2ATSHRCA2MAPK1
SCHEMBL8460018 0.72 TSHR (0.35) TSHRCA2MAPK1
SCHEMBL11582722 0.72 LCK (0.32) ALDH1A1KMT2ALCKPPARDZDHHC20
SCHEMBL330404 0.71 ALDH1A1 (0.32) ALDH1A1TSHR

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-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
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 ALDH1A1 2746/4885KMT2A 3329/4885LCK 4617/4885

“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.