SCHEMBL1472379

SCHEMBL1472379

C=C1CC[C@H](O)C/C1=C/C=C1CCC[C@@]2(C)C1CC[C@@H]2[C@H](C)C(O)CCC(C)C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.75
▸ KMT2A Q03164 3/20 0.75
▸ MAPT P10636 3/20 0.75
▸ ALDH1A1 P00352 3/20 0.75
▸ CYP3A4 P08684 3/20 0.75
▸ ALOX15 P16050 3/20 0.75
▸ VDR P11473 3/20 0.75
▸ SMN1; SMN2 Q16637 2/20 0.75
▸ HSPD1 P10809 2/20 0.75
▸ PTGS1 P23219 2/20 0.75
▸ HSPE1 P61604 2/20 0.75
▸ ADORA3 P0DMS8 2/20 0.75
▸ TDP1 Q9NUW8 1/20 0.75
▸ CDC25A P30304 1/20 0.75
▸ PGR P06401 1/20 0.75
▸ HPGD P15428 1/20 0.75
▸ TBXA2R P21731 1/20 0.75
▸ GLRA1 P23415 1/20 0.75
▸ DRD3 P35462 1/20 0.75
▸ HSD17B10 Q99714 1/20 0.75

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
SCHEMBL9816850 0.89 MAPT (0.78) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL30253080 0.89 MAPT (0.78) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL11329349 0.88 VDR (0.79) MAPTVDRADORA3PGRABCB11
SCHEMBL11329344 0.88 VDR (0.79) MAPTVDRADORA3PGRABCB11
SCHEMBL4913184 0.88 MEN1 (0.80) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL11225746 0.88 MEN1 (0.80) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL3175941 0.88 MEN1 (0.80) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL9361678 0.88 MEN1 (0.80) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL7086287 0.88 MEN1 (0.80) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL30692696 0.88 MEN1 (0.80) MEN1KMT2AMAPTALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119241-A1 Preparation of 24 alkyl analogs of cholecalciferol and non-racemic compounds INSTYTUT FARMACEUTYCZNY (PL) 2005-06-02 — — US claimed
EP-1497264-A2 PREPARATION OF 24-ALKYL ANALOGS OF CHOLECALCIFEROL AND NON-RACEMIC COMPOUNDS INSTYTUT FARMACEUTYCZNY (PL) 2005-01-19 — — EP claimed
WO-2003087048-A2 PREPARATION OF 24 ALKYL ANALOGS OF CHOLECALCIFEROL AND NON-RACEMIC COMPOUNDS INSTYTUT FARMACEUTYCZNY (PL) 2003-10-23 — — WO claimed
US-7915241-B2 Reacting a sulfone intermediate, possessing a (5E) or (5Z) configuration with an aldehyde having an (R) or an (S) configuration in the presence of a strong base, in an aprotic solvent; synthetic analog of vitamin D3-calcipotriol, biologically active compound used in medical treatment INSTYTUT FARMACEUTYCZNY (PL) 2011-03-29 — — US disclosed
US-20050119241-A1 Preparation of 24 alkyl analogs of cholecalciferol and non-racemic compounds INSTYTUT FARMACEUTYCZNY (PL) 2005-06-02 — — 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-20050119241-A1 Preparation of 24 alkyl analogs of cholecalciferol and non-racemic compounds CYP24A1, CYP2R1, VDR MEN1 2140/4885KMT2A 4779/4885MAPT 4879/4885

“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