SCHEMBL14489153

SCHEMBL14489153

C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4(C(=O)OCCCC)CC4)CC[C@@H]23)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 11/20 0.71
▸ NR1I2 O75469 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ PTGS2 P35354 1/20 0.46

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
SCHEMBL7710893 0.94 VDR (0.61) VDRNR1I2PGRHTR1AADORA3
SCHEMBL7716606 0.94 VDR (0.61) VDRNR1I2PGRHTR1AADORA3
SCHEMBL7716794 0.91 VDR (0.58) VDRNR1I2PGRHTR1AADORA3
SCHEMBL7715728 0.91 VDR (0.58) VDRNR1I2PGRHTR1AADORA3
SCHEMBL8995587 0.90 VDR (0.56) VDRNR1I2PGRHTR1AADORA3
SCHEMBL8995620 0.90 VDR (0.56) VDRNR1I2PGRHTR1AADORA3
SCHEMBL5376260 0.90 VDR (0.56) VDRNR1I2PGRHTR1AADORA3
SCHEMBL5376548 0.90 VDR (0.56) VDRNR1I2PGRHTR1AADORA3
SCHEMBL8995643 0.90 VDR (0.57) VDRNR1I2PGRHTR1AADORA3
SCHEMBL8526158 0.89 VDR (0.56) VDRNR1I2PGRHTR1AADORA3

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-9221753-B2 Process for the synthesis of vitamin D compounds and intermediates for the synthesis of the compounds CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-12-29 — — US disclosed
US-20070135394-A1 Process for the synthesis of vitamin d compounds and intermediates for the synthesis of the compounds CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-06-14 — — 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-20070135394-A1 Process for the synthesis of vitamin d compounds and intermediates for the synthesis of the compounds CYP24A1, CYP2R1, VDR VDR 3/4885NR1I2 3727/4885PGR 2806/4885

“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.

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