SCHEMBL2937641

SCHEMBL2937641

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
LMNA P02545 4/20 0.57
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.48
EPHX1 P07099 3/20 0.48
TRPA1 O75762 2/20 0.47
TRPM8 Q7Z2W7 2/20 0.47
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.44
CYP19A1 P11511 2/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
NFE2L2 Q16236 1/20 0.43
KCNA5 P22460 1/20 0.41
INPP5A Q14642 1/20 0.41

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
SCHEMBL2935357 1.00 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL9484139 0.90 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL8988924 0.87 ALDH1A1 (0.52) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL15647383 0.87 ALDH1A1 (0.52) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL8988670 0.87 ALDH1A1 (0.52) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL8988919 0.87 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL11352601 0.86 ALDH1A1 (0.60) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL8987733 0.85 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2AKDM4E
Citric Acid SCHEMBL8988622 0.83 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL8988667 0.83 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916463-B2 Oral products having an aesthetic layer THE PROCTER & GAMBLE COMPANY (US) 2005-07-12 US claimed
US-20040057910-A1 Oral products having an aesthetic layer THE PROCTER & GAMBLECOMPANY 2004-03-25 US claimed
CN-101909582-A Oral care delivery system with microcrystalline wax PROCTER & GAMBLE 2010-12-08 CN disclosed
EP-2227214-A1 ORAL CARE DELIVERY SYSTEM WITH MICROCRYSTALLINE WAX The Procter & Gamble Company (US) 2010-09-15 EP disclosed
WO-2009090566-A1 ORAL CARE DELIVERY SYSTEM WITH MICROCRYSTALLINE WAX THE PROCTER & GAMBLE COMPANY (US) 2009-07-23 WO disclosed
US-20090181071-A1 Oral Care Delivery System with Microcrystalline Wax THE PROCTER & GAMBLE COMPANY 2009-07-16 US disclosed
EP-1542649-B1 ORAL PRODUCTS HAVING AN AESTHETIC LAYER PROCTER & GAMBLE (US) 2008-04-30 EP disclosed
US-6916463-B2 Oral products having an aesthetic layer THE PROCTER & GAMBLE COMPANY (US) 2005-07-12 US disclosed
EP-1542649-A1 ORAL PRODUCTS HAVING AN AESTHETIC LAYER THE PROCTER & GAMBLE COMPANY (US) 2005-06-22 EP disclosed
WO-2004028499-A1 ORAL PRODUCTS HAVING AN AESTHETIC LAYER THE PROCTER & GAMBLE COMPANY (US) 2004-04-08 WO disclosed
US-20040057910-A1 Oral products having an aesthetic layer THE PROCTER & GAMBLECOMPANY 2004-03-25 US disclosed
EP-0725630-A1 FAST DISSOLVING DOSAGE FORMS CONTAINING MAGNESIUM ALUMINUM SILICATE AND MULTIPLE ACTIVE INGREDIENTS THE PROCTER & GAMBLE COMPANY (US) 1996-08-14 EP disclosed
WO-1995011671-A1 FAST DISSOLVING DOSAGE FORMS CONTAINING MAGNESIUM ALUMINUM SILICATE AND MULTIPLE ACTIVE INGREDIENTS THE PROCTER & GAMBLE COMPANY (US) 1995-05-04 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 (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-20090181071-A1 Oral Care Delivery System with Microcrystalline Wax MCRS1, TAS2R39, MRPS27 ALDH1A1 4466/4885LMNA 1402/4885MEN1 2371/4885
US-20040057910-A1 Oral products having an aesthetic layer CUTA, LPL, SUCLG1 ALDH1A1 386/4885LMNA 1368/4885MEN1 3713/4885

“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.