SCHEMBL4029442

SCHEMBL4029442

CC[Si](CC)(CC)CCCCCO

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.34
ACHE P22303 6/20 0.31
GPR84 Q9NQS5 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL7059111 1.00 LMNA (0.48) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7214781 0.97 SMN1; SMN2 (0.45) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL29047704 0.88 ALDH1A1 (0.42) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL11147261 0.87 LMNA (0.62) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL10404934 0.85 TSHR (0.31) TSHR
SCHEMBL2364394 0.81 LMNA (0.68) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL10401685 0.77 TSHR (0.50) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL9851115 0.77 TSHR (0.50) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL10841539 0.77 TSHR (0.50) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3204352 0.77 TSHR (0.50) LMNAALDH1A1HSD17B10MEN1KMT2A

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
EP-1419143-B1 24-SULFUR-SUBSTITUTED ANALOGS OF 1ALPHA,25-DIHYDROXY VITAMIN D3 UNIV JOHNS HOPKINS (US) 2009-04-15 EP disclosed
US-7166585-B2 24-Sulfur-substituted analogs of 1α,25-dihydroxy vitamin D3 CYTOCHROMA INC. (CA) 2007-01-23 US disclosed
US-20040132695-A1 24-Sulfur-substituted analogs of 1 alpha, 25-dihydroxy vitamin D3 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-07-08 US disclosed
US-20030149005-A1 24-sulfur-substituted analogs of 1alpha, 25-dihydroxy vitamin D3 Opko IP Holdings II, Inc. (KY) 2003-08-07 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-20030149005-A1 24-sulfur-substituted analogs of 1alpha, 25-dihydroxy vitamin D3 CYP24A1, CYP2R1, CYP27B1 LMNA 4778/4885ALDH1A1 333/4885HSD17B10 181/4885
US-20040132695-A1 24-Sulfur-substituted analogs of 1 alpha, 25-dihydroxy vitamin D3 CYP24A1, CYP2R1, CYP27B1 LMNA 4814/4885ALDH1A1 277/4885HSD17B10 167/4885

“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.