SCHEMBL12083752

SCHEMBL12083752

CC(C)[C@@H](CC[C@H](C)[C@@]1(C)CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SMYD2 Q9NRG4 2/20 0.34

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
SCHEMBL12083759 0.89 CYP3A4 (0.32) CYP3A4HTTSMN1; SMN2
SCHEMBL3283414 0.87 SMYD2 (0.34) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL3284094 0.87 SMYD2 (0.34) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL3284095 0.87 SMYD2 (0.34) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL3283417 0.87 SMYD2 (0.34) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL3283570 0.85 SMYD2 (0.33) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL12083917 0.84 SMYD2 (0.32) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL3284118 0.84 SMYD2 (0.32) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL12083900 0.83 SMYD2 (0.37) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL12083898 0.78 SMYD2 (0.38) CYP3A4HTTSMN1; SMN2SMYD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CYP3A4 3675/4885HTT 3922/4885SMN1; SMN2 2106/4885
US-20080032955-A1 VITAMIN D3 ANALOGUES FOR THE PREVENTION AND TREATMENT OF BONE DISORDERS VDR, CYP24A1, CYP2R1 CYP3A4 3675/4885HTT 3922/4885SMN1; SMN2 2106/4885

“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.