SCHEMBL3284095

SCHEMBL3284095

CC(C)[C@H](O)CC[C@H](C)[C@]1(C)CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 2/20 0.34
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3283417 1.00 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL3283414 1.00 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL3284094 1.00 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL12083752 0.87 CYP3A4 (0.35) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL12083900 0.86 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL3283570 0.86 SMYD2 (0.33) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL3284298 0.83 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL3283530 0.83 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL3782356 0.83 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL3283541 0.83 SMYD2 (0.34) SMYD2CYP3A4HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160455-A1 VITAMIN D3 ANALOGUES FOR THE PREVENTION AND TREATMENT OF BONE DISORDERS K.U. LEUVEN RESEARCH AND DEVELOPMENT (BE) 2010-06-24 US claimed
US-8258126-B2 Vitamin D3 analogues for the prevention and treatment of bone disorders K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2012-09-04 US disclosed
US-20100160455-A1 VITAMIN D3 ANALOGUES FOR THE PREVENTION AND TREATMENT OF BONE DISORDERS K.U. LEUVEN RESEARCH AND DEVELOPMENT (BE) 2010-06-24 US disclosed
US-7704986-B2 5-(((3-((4-Hydroxy,1,5-dimethylhexyl)-2,2,3-(trimethyl)cyclopentyl)-2-propenylidene)cyclohexane-1,3-diol; induce bone matrix formation; mineralization without hypercalcemia; side effect reduction; bone disorders; osteomalacia, renal osteodystrophy, Paget's disease and osteoporosis; skin disorders K.U. LEUVEN RESEARCH AND DEVELOPMENT (BE) 2010-04-27 US disclosed
EP-1809599-B1 VITAMIN D3 ANALOGUES FOR THE PREVENTION AND TREATMENT OF BONE DISORDERS LEUVEN K U RES & DEV (BE) 2008-12-10 EP disclosed
US-20080032955-A1 VITAMIN D3 ANALOGUES FOR THE PREVENTION AND TREATMENT OF BONE DISORDERS K.U. LEUVEN RESEARCH AND DEVELOPMENT (BE) 2008-02-07 US 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 (2 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-20100160455-A1 VITAMIN D3 ANALOGUES FOR THE PREVENTION AND TREATMENT OF BONE DISORDERS VDR, CYP24A1, CYP2R1 SMYD2 4370/4885CYP3A4 3675/4885HTT 3922/4885
US-20080032955-A1 VITAMIN D3 ANALOGUES FOR THE PREVENTION AND TREATMENT OF BONE DISORDERS VDR, CYP24A1, CYP2R1 SMYD2 4370/4885CYP3A4 3675/4885HTT 3922/4885

“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.