SCHEMBL7700798

SCHEMBL7700798

C[C@H](CCCC=O)CCCC(C)(C)O[Si](C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7700803 1.00 CYP3A4 (0.33) CYP3A4MEN1ALOX15KMT2AALDH1A1
SCHEMBL3885730 0.84 CYP3A4 (0.31) CYP3A4MEN1ALOX15KMT2AALDH1A1
SCHEMBL13839564 0.84 CYP3A4 (0.31) CYP3A4MEN1ALOX15KMT2AALDH1A1
SCHEMBL30040429 0.84 HIF1A (0.36)
SCHEMBL7697005 0.78 TSHR (0.31)
SCHEMBL3890589 0.75 MEN1 (0.42) CYP3A4MEN1ALOX15KMT2AALDH1A1
SCHEMBL7703195 0.75 MEN1 (0.42) CYP3A4MEN1ALOX15KMT2AALDH1A1
SCHEMBL12760667 0.75 CYP3A4 (0.45) CYP3A4MEN1ALOX15KMT2AALDH1A1
SCHEMBL11876407 0.72 CYP3A4 (0.33) CYP3A4MEN1ALOX15KMT2AALDH1A1
SCHEMBL3408019 0.70 HIF1A (0.45) ALOX15ALDH1A1LMNATDP1

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 8 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-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
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
EP-0983221-B1 CYCLOHEXANEDIOL DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-04-03 EP disclosed
EP-0983221-A1 CYCLOHEXANEDIOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-03-08 EP disclosed
US-5969190-A TREATING HYPERPROLIFERATIVE SKIN DISEASES HOFFMANN-LA ROCHE INC. (US) 1999-10-19 US disclosed
WO-1998052894-A1 CYCLOHEXANEDIOL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1998-11-26 WO 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 CYP3A4 107/4885MEN1 378/4885ALOX15 440/4885

“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.