Sugi Predict

Sugi Predict / Compounds / SCHEMBL4879127

SCHEMBL4879127

SCHEMBL4879127

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\CCCC[C@@H]3C)CCC[C@]12C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 3/20 0.67
▸ CDC25B P30305 1/20 0.67
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ VDR P11473 3/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ ALOX15 P16050 2/20 0.64
▸ ADORA3 P0DMS8 2/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ PGR P06401 1/20 0.64
▸ HSPD1 P10809 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ TBXA2R P21731 1/20 0.64
▸ PTGS1 P23219 1/20 0.64
▸ GLRA1 P23415 1/20 0.64
▸ DRD3 P35462 1/20 0.64
▸ HSPE1 P61604 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64

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
SCHEMBL30080829 0.87 MEN1 (0.72) CDC25ACDC25BMEN1KMT2AVDR
SCHEMBL13361581 0.87 VDR (0.74) VDRMAPTADORA3PGRSMN1; SMN2
SCHEMBL7544638 0.86 CDC25A (0.53) CDC25ACDC25BVDRADORA3SLC6A2
SCHEMBL7544641 0.86 CDC25A (0.53) CDC25ACDC25BVDRADORA3SLC6A2
SCHEMBL23619148 0.85 MAPT (0.77) CDC25ACDC25BMEN1KMT2AVDR
SCHEMBL22141545 0.85 MAPT (0.77) CDC25ACDC25BMEN1KMT2AVDR
SCHEMBL4993254 0.85 MAPT (0.77) CDC25ACDC25BMEN1KMT2AVDR
SCHEMBL1650555 0.85 MAPT (0.77) CDC25ACDC25BMEN1KMT2AVDR
SCHEMBL13824922 0.83 VDR (0.66) CDC25AMEN1KMT2AVDRALDH1A1
SCHEMBL13824927 0.83 VDR (0.66) CDC25AMEN1KMT2AVDRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486374-B2 Alcohol-free drug or cosmetics carrier mixture of water, hydrophobic solvent, surfactant and gelling agent; oil in water emulsions FOAMIX LTD. (IL) 2013-07-16 — — US disclosed
US-20080299220-A1 HYDROPHILIC, NON-AQUEOUS PHARMACEUTICAL CARRIERS AND COMPOSITIONS AND USES VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2008-12-04 — — US disclosed
US-20080292560-A1 SILICONE IN GLYCOL PHARMACEUTICAL AND COSMETIC COMPOSITIONS WITH ACCOMMODATING AGENT FOAMIX PHARMACEUTICALS LTD. (IL) 2008-11-27 — — 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 (2 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-20080292560-A1 SILICONE IN GLYCOL PHARMACEUTICAL AND COSMETIC COMPOSITIONS WITH ACCOMMODATING AGENT SSTR2, SSTR3, LPXN CDC25A 775/4885CDC25B 1008/4885MEN1 1005/4885
US-20080299220-A1 HYDROPHILIC, NON-AQUEOUS PHARMACEUTICAL CARRIERS AND COMPOSITIONS AND USES LIPA, PHOSPHO1, MYO1G CDC25A 3363/4885CDC25B 3253/4885MEN1 3419/4885

“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.