SCHEMBL12328690

SCHEMBL12328690

C[C@H](CP(=O)(c1ccccc1)c1ccccc1)C1CCC2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP24A1 Q07973 1/20 0.66
▸ VDR P11473 15/20 0.63
▸ HDAC6 Q9UBN7 8/20 0.59
▸ HDAC3 O15379 4/20 0.59
▸ HDAC2 Q92769 3/20 0.58

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
SCHEMBL12298778 0.88 CYP24A1 (0.53) CYP24A1VDRHDAC6HDAC3HDAC2
SCHEMBL12298770 0.84 CYP24A1 (0.48) CYP24A1VDRHDAC6HDAC3
SCHEMBL12915642 0.82 CYP24A1 (0.76) CYP24A1VDRHDAC6HDAC3HDAC2
SCHEMBL14351710 0.82 CYP24A1 (0.76) CYP24A1VDRHDAC6HDAC3HDAC2
SCHEMBL14352042 0.82 CYP24A1 (0.76) CYP24A1VDRHDAC6HDAC3HDAC2
SCHEMBL12298779 0.81 CYP24A1 (0.46) CYP24A1VDRHDAC6HDAC3HDAC2
SCHEMBL14598180 0.81 CYP24A1 (0.84) CYP24A1VDRHDAC6HDAC3HDAC2
SCHEMBL805084 0.81 VDR (0.73) CYP24A1VDRHDAC6HDAC3HDAC2
SCHEMBL12408040 0.79 CYP24A1 (1.00) CYP24A1VDRHDAC6HDAC3HDAC2
SCHEMBL12407981 0.79 CYP24A1 (0.82) CYP24A1VDRHDAC6HDAC3HDAC2

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-8026379-B2 Paricalcitol intermediates FORMOSA LABORATORIES, INC. (TW) 2011-09-27 — — US disclosed
US-20090318722-A1 PROCESS FOR PREPARATION OF PARICALCITOL INTERMEDIATES FORMOSA LABORATORIES INC. (TW) 2009-12-24 — — 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-20090318722-A1 PROCESS FOR PREPARATION OF PARICALCITOL INTERMEDIATES CYP24A1, PTH1R, CYP2R1 CYP24A1 1/4885VDR 9/4885HDAC6 4610/4885

“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