SCHEMBL3282941

SCHEMBL3282941

COC(=O)/C=C/C(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 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SMYD2 Q9NRG4 3/20 0.34
ABL1 P00519 1/20 0.31
CTSL P07711 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
SCHEMBL3787819 1.00 CYP3A4 (0.35) CYP3A4HTTSMN1; SMN2SMYD2ABL1
SCHEMBL3282942 1.00 CYP3A4 (0.35) CYP3A4HTTSMN1; SMN2SMYD2ABL1
SCHEMBL12084060 1.00 CYP3A4 (0.35) CYP3A4HTTSMN1; SMN2SMYD2ABL1
SCHEMBL3283369 0.84 SMYD2 (0.34) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL3283373 0.84 SMYD2 (0.34) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL3283371 0.84 SMYD2 (0.34) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL3290287 0.84 SMYD2 (0.36) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL3290292 0.84 SMYD2 (0.36) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL3290297 0.84 SMYD2 (0.36) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL12083898 0.84 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 7 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-20080032955-A1 VITAMIN D3 ANALOGUES FOR THE PREVENTION AND TREATMENT OF BONE DISORDERS K.U. LEUVEN RESEARCH AND DEVELOPMENT (BE) 2008-02-07 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 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.