SCHEMBL5351925

SCHEMBL5351925

COc1cc(OC2O[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@@H](C)O)[C@@H](O)[C@H](O)[C@H]2O)cc2c1C(=O)CC(c1ccc(O)c(O)c1)O2

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.57
SLCO2B1 O94956 2/20 0.57
SYNJ2 O15056 1/20 0.57
DPP4 P27487 1/20 0.53
POLB P06746 2/20 0.52
CALM1 P0DP23 1/20 0.52
GSK3B P49841 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PKM P14618 1/20 0.49
PTPN1 P18031 2/20 0.48
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47
CYP19A1 P11511 1/20 0.45

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
SCHEMBL5341486 0.91 KDM1A (0.70) KDM1ASLCO2B1SYNJ2DPP4POLB
SCHEMBL345223 0.86 SLCO2B1 (0.66) KDM1ASLCO2B1SYNJ2DPP4POLB
SCHEMBL4309045 0.82 CYP1A1 (0.56) KDM1ASLCO2B1SYNJ2DPP4POLB
SCHEMBL24527515 0.79 KDM1A (0.79) KDM1ASLCO2B1SYNJ2DPP4POLB
SCHEMBL4219129 0.79 CYP19A1 (0.57) CYP19A1
SCHEMBL3643156 0.78 KDM1A (0.73) KDM1ASLCO2B1SYNJ2DPP4POLB
SCHEMBL243404 0.76 DPP4 (0.84) KDM1ASLCO2B1SYNJ2DPP4POLB
SCHEMBL30291873 0.76 DPP4 (0.84) KDM1ASLCO2B1SYNJ2DPP4POLB
SCHEMBL15080627 0.75 KDM1A (0.85) KDM1ASLCO2B1SYNJ2DPP4POLB
SCHEMBL13456236 0.75 KDM1A (0.85) KDM1ASLCO2B1SYNJ2DPP4POLB

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
WO-2023036973-A1 EXTRACTION METHOD USING AN AQUEOUS ALKANEDIOL MINASOLVE SAS (FR) 2023-03-16 WO disclosed
US-11234918-B2 Methods for botanical and/or algae extraction BASF CORPORATION (US) 2022-02-01 US disclosed
EP-3562472-B1 USE OF COCONUT WATER AS EXTRACTION SOLVENT BASF BEAUTY CARE SOLUTIONS FRANCE SAS (FR) 2021-05-19 EP disclosed
US-10981084-B2 Use of coconut water as extraction solvent BASF BEAUTY CARE SOLUTIONS FRANCE SAS (FR) 2021-04-20 US disclosed
US-20190336884-A1 USE OF COCONUT WATER AS EXTRACTION SOLVENT BASF BEAUTY CARE SOLUTIONS FRANCE SAS (FR) 2019-11-07 US disclosed
EP-3562472-A1 USE OF COCONUT WATER AS EXTRACTION SOLVENT BASF Beauty Care Solutions France SAS (FR) 2019-11-06 EP disclosed
WO-2018122514-A1 USE OF COCONUT WATER AS EXTRACTION SOLVENT BASF BEAUTY CARE SOLUTIONS FRANCE SAS (FR) 2018-07-05 WO disclosed
EP-2858641-B1 IMPROVED METHODS FOR BOTANICAL AND/OR ALGAE EXTRACTION BASF CORP (US) 2017-09-06 EP disclosed
US-20150140141-A1 METHODS FOR BOTANICAL AND/OR ALGAE EXTRACTION BASF BEAUTY CARE SOLUTIONS FRANCE SAS (FR) 2015-05-21 US disclosed
EP-2858641-A1 IMPROVED METHODS FOR BOTANICAL AND/OR ALGAE EXTRACTION BASF Corporation (US) 2015-04-15 EP disclosed
WO-2013184884-A1 IMPROVED METHODS FOR BOTANICAL AND/OR ALGAE EXTRACTION BASF CORPORATION (US) 2013-12-12 WO disclosed
US-7294330-B2 prevent decomposition of steroid ester; inhibit odors HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-13 US disclosed
US-20040234466-A1 Beta-glucuronidase inhibitors for use in deodorants and antiperspirants HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2004-11-25 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 (3 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-11234918-B2 Methods for botanical and/or algae extraction ALG1, ALG8, CUTA KDM1A 4518/4885SLCO2B1 4826/4885SYNJ2 3119/4885
US-20040234466-A1 Beta-glucuronidase inhibitors for use in deodorants and antiperspirants GUSB, PON1, IDUA KDM1A 2894/4885SLCO2B1 597/4885SYNJ2 4276/4885
US-20150140141-A1 METHODS FOR BOTANICAL AND/OR ALGAE EXTRACTION ALG1, ALG8, CUTA KDM1A 4518/4885SLCO2B1 4826/4885SYNJ2 3119/4885

“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.