SCHEMBL12398156

SCHEMBL12398156

C[C@@H]1C/C(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)(C)C)CC[C@@H]23)C[C@@H](O[Si](C)(C)C(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 8/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ NR1I2 O75469 1/20 0.47
▸ PGR P06401 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ LMNA P02545 2/20 0.43
▸ AR P10275 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ HSPD1 P10809 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ HSPE1 P61604 1/20 0.43

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
SCHEMBL12398191 0.94 VDR (0.47) VDRMEN1NR1I2PGRKMT2A
SCHEMBL12398151 0.89 VDR (0.45) VDR
SCHEMBL14489015 0.87 VDR (0.46) VDRMEN1NR1I2PGRKMT2A
SCHEMBL17340174 0.86 VDR (0.55) VDRMEN1NR1I2PGRKMT2A
SCHEMBL12398139 0.85 VDR (0.53) VDR
SCHEMBL13531894 0.85 VDR (0.45) VDR
SCHEMBL12397972 0.84 VDR (0.50) VDR
SCHEMBL26756751 0.84 VDR (0.50) VDR
SCHEMBL8527105 0.84 VDR (0.46) VDRMEN1NR1I2PGRKMT2A
SCHEMBL3179666 0.84 VDR (0.48) VDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212136-B2 Methods for producing paricalcitol AZAD PHARMACEUTICALS INGREDIENTS AG (CH) 2015-12-15 — — US disclosed
US-20110184199-A1 Methods For Producing Paricalcitol AZAD PHARMA AG (CH) 2011-07-28 — — 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-20110184199-A1 Methods For Producing Paricalcitol CYP2R1, PTH1R, CYP24A1 VDR 18/4885MEN1 387/4885NR1I2 4034/4885

“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.

Send feedback