SCHEMBL4159409

SCHEMBL4159409

CC=C1CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPM1D O15297 2/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL6851161 1.00 PPM1D (0.31) PPM1DGRIN1GRIN2B
SCHEMBL4159405 1.00 PPM1D (0.31) PPM1DGRIN1GRIN2B
SCHEMBL7150696 0.94 PPM1D (0.33) PPM1D
SCHEMBL7150700 0.94 PPM1D (0.33) PPM1D
SCHEMBL20244226 0.81 CYP19A1 (0.40)
SCHEMBL21613284 0.81 CYP19A1 (0.40)
SCHEMBL13317271 0.80 PPM1D (0.32) PPM1DGRIN1GRIN2B
SCHEMBL7152133 0.77 PPM1D (0.35) PPM1D
SCHEMBL17180453 0.75 CYP19A1 (0.33)
SCHEMBL13392638 0.73 CYP19A1 (0.40) GRIN1GRIN2B

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-8377913-B2 Vitamin D receptor activators and methods of making ABBVIE INC. (US) 2013-02-19 US disclosed
US-20090131379-A1 VITAMIN D RECEPTOR ACTIVATORS AND METHODS OF MAKING ABBOTT LABORATORIES (US) 2009-05-21 US disclosed
EP-0805682-B1 DERMATOLOGICAL USE OF VITAMIN D DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2004-08-11 EP disclosed
US-5827883-A TOPICAL DRUG DELIVERY; SIDE EFFECT REDUCTION HOFFMANN-LA ROCHE INC. (US) 1998-10-27 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 (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-20090131379-A1 VITAMIN D RECEPTOR ACTIVATORS AND METHODS OF MAKING VDR, CYP2R1, CYP24A1 PPM1D 4604/4885GRIN1 3292/4885GRIN2B 4072/4885

“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.