SCHEMBL3384739

SCHEMBL3384739

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCO

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
GAA P10253 1/20 0.48
TRPA1 O75762 2/20 0.47
TRPM8 Q7Z2W7 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
P2RX4 Q99571 1/20 0.45
EPHX1 P07099 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
XBP1 P17861 1/20 0.44
CYP2C19 P33261 1/20 0.44
NTSR1 P30989 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL3388061 1.00 ALDH1A1 (0.67) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL248361 1.00 ALDH1A1 (0.67) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL26135477 1.00 ALDH1A1 (0.67) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL12086406 1.00 ALDH1A1 (0.67) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL15987982 0.92 ALDH1A1 (0.65) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL116765 0.92 ALDH1A1 (0.65) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL943408 0.92 ALDH1A1 (0.65) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL4582819 0.92 ALDH1A1 (0.65) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL23196491 0.91 ALDH1A1 (0.60) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G
SCHEMBL888164 0.91 ALDH1A1 (0.60) ALDH1A1LMNAKDM4EAPOBEC3AAPOBEC3G

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 116 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240197183-A1 ORAL CARE FLAVOUR FOR IMPROVING INVIGORATION STATE AND METHOD OF ASSESSING GIVAUDAN SA (CH) 2024-06-20 US claimed
US-20240197222-A1 ORAL CARE FLAVOUR FOR IMPROVING HAPPINESS STATE AND METHOD OF ASSESSING GIVAUDAN SA (CH) 2024-06-20 US claimed
EP-4347761-A1 ORAL CARE FLAVOUR FOR IMPROVING INVIGORATION STATE AND METHOD OF ASSESSING Givaudan SA (CH) 2024-04-10 EP claimed
EP-4347760-A1 ORAL CARE FLAVOUR FOR IMPROVING HAPPINESS STATE AND METHOD OF ASSESSING Givaudan SA (CH) 2024-04-10 EP claimed
WO-2022234154-A1 ORAL CARE FLAVOUR FOR IMPROVING INVIGORATION STATE AND METHOD OF ASSESSING GIVAUDAN SA (CH) 2022-11-10 WO claimed
WO-2022234153-A1 ORAL CARE FLAVOUR FOR IMPROVING HAPPINESS STATE AND METHOD OF ASSESSING GIVAUDAN SA (CH) 2022-11-10 WO claimed
US-20140227342-A1 ACETYLCHOLINESTERASE INHIBITOR COMPOSITION FOR SEXUAL USE SMARTEK INTERNATIONAL, INC. 2014-08-14 US claimed
EP-1121927-B1 A composition causing different skin sensations TAKASAGO PERFUMERY CO LTD (JP) 2010-12-08 EP claimed
US-20070190090-A1 SIALAGOGUE BASED ORAL CARE PRODUCTS WHITEHILL ORAL TECHNOLOGIES, INC. (US) 2007-08-16 US claimed
US-20060177384-A1 Sialagogue coatings for interproximal devices WHITEHILL ORAL TECHNOLOGIES, INC. 2006-08-10 US claimed
US-6956139-B2 (1R, 2S, 5R)-3-1-menthoxyalkan-1-OL cooling sensate TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-10-18 US claimed
US-6890567-B2 Sensate composition imparting initial sensation upon contact TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-05-10 US claimed
US-6780443-B1 COMBINATION OF COOLING, WARMING AND TINGLING AGENTS FOR SUCH AS MOUTHWASHES; EMPLOYS JAMBU OLEORESIN AND/OR SPILANTHOL; LONG LASTING TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-08-24 US claimed
US-20030215532-A1 New sensate composition imparting initial sensation upon contact TAKASAGO INTERNATIONAL CORPORATION 2003-11-20 US claimed
US-20020198412-A1 (1R, 2S, 5R)-3-1-menthoxyalkan-1-OL cooling sensate GREEN CARTER B (US) 2002-12-26 US claimed
EP-1121927-A2 A composition causing different skin sensations Takasago International Corporation (JP) 2001-08-08 EP claimed
US-12601929-B2 Contact lens COOPERVISION INTERNATIONAL LIMITED (GB) 2026-04-14 US disclosed
EP-4717253-A2 ORAL CARE COMPOSITIONS COMPRISING FLUORIDE IONS The Procter & Gamble Company (US) 2026-04-01 EP disclosed
EP-1121927-A2 A composition causing different skin sensations Takasago International Corporation (JP) 2001-08-08 EP disclosed
EP-1122233-A1 A (1'R, 2'S, 5'R)-3-l-menthoxyalkan-1-ol cooling sensate Takasago International Corporation (JP) 2001-08-08 EP 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 (6 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-20070190090-A1 SIALAGOGUE BASED ORAL CARE PRODUCTS MUC1, TAS2R40, TAS2R39 ALDH1A1 3787/4885LMNA 4662/4885KDM4E 4690/4885
US-12601929-B2 Contact lens TRPM8, TRPM7, TRPM5 ALDH1A1 4075/4885LMNA 1959/4885KDM4E 1524/4885
US-20020198412-A1 (1R, 2S, 5R)-3-1-menthoxyalkan-1-OL cooling sensate TAS1R1, TAS2R1, TAS1R3 ALDH1A1 76/4885LMNA 3297/4885KDM4E 2626/4885
US-20030215532-A1 New sensate composition imparting initial sensation upon contact NISCH, OSBP, TRPA1 ALDH1A1 2579/4885LMNA 4568/4885KDM4E 4507/4885
US-20140227342-A1 ACETYLCHOLINESTERASE INHIBITOR COMPOSITION FOR SEXUAL USE ACHE, BCHE, SLC18A3 ALDH1A1 437/4885LMNA 3417/4885KDM4E 1861/4885
US-20060177384-A1 Sialagogue coatings for interproximal devices TAS2R10, SIGLEC7, TAS2R16 ALDH1A1 3938/4885LMNA 4433/4885KDM4E 4053/4885

“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.