SCHEMBL4893196

SCHEMBL4893196

CC(C)(C)[Si](C)(C)OC1CC(OCc2ccccc2)CC(O[Si](C)(C)C(C)(C)C)C1O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
PDE4D Q08499 1/20 0.36
NAAA Q02083 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PRMT8 Q9NR22 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
BCHE P06276 1/20 0.35
GABRA5 P31644 1/20 0.34
DPP4 P27487 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC18A3 Q16572 1/20 0.33

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
SCHEMBL14107808 1.00 CTSL (0.37) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL14107809 0.86 CTSL (0.36) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL4895151 0.86 CTSL (0.36) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL6575559 0.86 PDE4D (0.39) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL22906947 0.85 CTSL (0.41) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL21028938 0.85 CTSL (0.41) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL21029509 0.85 CTSL (0.41) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL7493619 0.84 PDE4D (0.34) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL4899890 0.84 PDE4D (0.34) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL14107863 0.81 OPRM1 (0.39) CTSLCTSBCTSKOPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402688-B2 2,2-Di-substituted 1alpha,25-dihydroxy-19-norvitamin D derivative WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-07-22 US disclosed
US-20060160779-A1 2,2-Di-substituted 1alpha,25-dihydroxy-19-norvitamin d derivative WISCONSIN ALUMNI RESEARCH FOUNDATION 2006-07-20 US disclosed
EP-1559708-A1 2,2-DI-SUBSTITUTED 1a,25-DIHYDROXY-19-NORVITAMIN D DERIVATIVE Shimizu, Masato (JP) 2005-08-03 EP 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-20060160779-A1 2,2-Di-substituted 1alpha,25-dihydroxy-19-norvitamin d derivative CYP24A1, CYP2R1, VDR CTSL 2998/4885CTSB 3354/4885CTSK 3561/4885

“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.