SCHEMBL851820

SCHEMBL851820

CC1CCC(C(C)C)C(C(O)C(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.51
TRPM8 Q7Z2W7 5/20 0.50
TRPA1 O75762 2/20 0.50
KCNA5 P22460 1/20 0.40
TRPV1 Q8NER1 4/20 0.39
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.36

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
Hydrochloric Acid SCHEMBL11492237 0.98 EPHX1 (0.50) EPHX1TRPM8TRPA1KCNA5TRPV1
Menthol SCHEMBL4583912 0.92 TRPM8 (0.66) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL10859205 0.85 EPHX1 (0.51) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL10860099 0.84 EPHX1 (0.50) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL9951257 0.83 EPHX1 (0.53) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL1030886 0.83 EPHX1 (0.53) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL9951715 0.83 EPHX1 (0.53) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL3274993 0.83 EPHX1 (0.53) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL16456973 0.82 EPHX1 (0.49) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL112766 0.82 EPHX1 (0.49) EPHX1TRPM8TRPA1KCNA5TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3758803-A1 POLY(VINYLAMINE-VINYLFORMAMIDE) COPOLYMERS AS ANTIPERSPIRANT AGENT Henkel AG & Co. KGaA (DE) 2021-01-06 EP disclosed
EP-3166589-B1 SWEAT-INHIBITING COSMETICS WITH PROTEINS FROM LEGUME OF GENUS PISUM, AND WHICH DO NOT CONTAIN ALUMINIUM AND/OR ZIRCONIUM HALOGENIDES AND/OR HYDROXYHALOGNIDES HENKEL AG & CO KGAA (DE) 2020-04-08 EP disclosed
EP-3621584-A1 METHODS FOR REDUCING SWEAT AND/OR BODY ODOR, USING PHOSPHONATE COMPOUNDS WITH AMINE AND/OR HYDROXYL GROUPS Henkel AG & Co. KGaA (DE) 2020-03-18 EP disclosed
EP-3166588-B1 USE OF A SPECIFIC PROTEIN TO REDUCE TRANSPIRATION OF THE BODY HENKEL AG & CO KGAA (DE) 2019-08-14 EP disclosed
EP-3515398-A1 METHODS FOR REDUCING SWEAT AND/OR BODY ODOUR USING SPECIFIC ACIDS OR DERIVATIVES THEREOF Henkel AG & Co. KGaA (DE) 2019-07-31 EP disclosed
EP-3250294-B1 ANTIPERSPIRANTS CONTAINING SALICYLIC ACID AND AMINOPOLYCARBOXYLIC ACID DERIVATIVES HENKEL AG & CO KGAA (DE) 2019-05-15 EP disclosed
EP-3209387-B1 USE OF CHITOSANS IN ANTIPERSPIRANT COMPOSITIONS FREE OF HALOGEN OR HALOGENHYDROXYSALTS OF ALUMINUM AND OR ZIRCONIUM HENKEL AG & CO KGAA (DE) 2019-04-24 EP disclosed
EP-3191078-B1 SWEAT-INHIBITING COSMETICS WITH PROTEINS FROM MALVAE OF GENUS ADANSONIA, AND WHICH DO NOT CONTAIN ALUMINIUM AND/OR ZIRCONIUM HALOGENIDES AND/OR HYDROXYHALOGNIDES HENKEL AG & CO KGAA (DE) 2019-03-20 EP disclosed
EP-2934466-B1 TEXTILE-SPARING, NON-AEROSOL ANTIPERSPIRANTS WITH METHANESULPHONIC ACID HENKEL AG & CO KGAA (DE) 2019-02-06 EP disclosed
WO-2018206449-A1 METHODS FOR REDUCING SWEAT AND/OR BODY ODOR, USING PHOSPHONATE COMPOUNDS WITH AMINE AND/OR HYDROXYL GROUPS HENKEL AG & CO. KGAA (DE) 2018-11-15 WO disclosed
EP-1888012-A2 OIL-CONTAINING DEODORIZING AEROSOL COMPOSITIONS HAVING SKIN-COOLING ACTIVE SUBSTANCES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-02-20 EP disclosed
EP-1885457-A1 ANTIPERSPIRANT EMULSION SPRAY WITH HAIR GROWTH INHIBITOR HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-02-13 EP disclosed
EP-1824444-A1 STORAGE-STABLE EMULSION SPRAY PRODUCT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-08-29 EP disclosed
EP-1803660-A1 Emulsion spray Henkel Kommanditgesellschaft auf Aktien (DE) 2007-07-04 EP disclosed
WO-2006128622-A2 OIL-CONTAINING DEODORIZING AEROSOL COMPOSITIONS HAVING SKIN-COOLING ACTIVE SUBSTANCES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-07 WO disclosed
WO-2006125582-A1 ANTIPERSPIRANT EMULSION SPRAY WITH HAIR GROWTH INHIBITOR HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-11-30 WO disclosed
WO-2006063726-A1 STORAGE-STABLE EMULSION SPRAY PRODUCT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-06-22 WO disclosed
US-20050154051-A1 Method for the preparation of escitalopram H. LUNDBECK A/S (DK) 2005-07-14 US disclosed
EP-1458701-A1 METHOD FOR THE PREPARATION OF ESCITALOPRAM H. Lundbeck A/S (DK) 2004-09-22 EP disclosed
WO-2003051861-A1 METHOD FOR THE PREPARATION OF ESCITALOPRAM H. LUNDBECK A/S (DK) 2003-06-26 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-20050154051-A1 Method for the preparation of escitalopram SLC6A4, TPH2, SLC6A3 EPHX1 2281/4885TRPM8 3434/4885TRPA1 3192/4885

“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.