Sugi Predict

Sugi Predict / Compounds / SCHEMBL1702463

SCHEMBL1702463

SCHEMBL1702463

CCCC(C=C(C)C(=O)O)C=C(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.41
▸ AKR1A1 P14550 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP3A4 P08684 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ NFKB1 P19838 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ LCK P06239 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ ZDHHC20 Q5W0Z9 1/20 0.33
▸ ZDHHC2 Q9UIJ5 1/20 0.33

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
SCHEMBL6472685 0.87 CA2 (0.42) TSHRLCKPPARDZDHHC20ZDHHC2
SCHEMBL1702508 0.84 LCK (0.50) LCKPPARDZDHHC20ZDHHC2CA2
SCHEMBL2350390 0.84 LCK (0.50) LCKPPARDZDHHC20ZDHHC2CA2
SCHEMBL1000711 0.81 PTGS1 (0.32) TDP1ALDH1A1PTGS1AKR1C3
SCHEMBL9231077 0.81 PTGS1 (0.32) TDP1ALDH1A1PTGS1AKR1C3
SCHEMBL4045908 0.80 CHRM1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9180520 0.80 CHRM1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4045909 0.80 CHRM1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL152165 0.80 HDAC1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1238097 0.80 HDAC1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044112-A1 Golf balls comprising glass ionomers, ormocers, or other hybrid organic/inorganic compositions ACUSHNET COMPANY 2004-03-04 — — US claimed
US-11179299-B2 System and method for applying oral care agents KONINKLIJKE PHILIPS N.V. (NL) 2021-11-23 — — US disclosed
EP-3068367-B1 SYSTEM AND METHOD FOR APPLYING ORAL CARE AGENTS KONINKLIJKE PHILIPS NV (NL) 2020-06-17 — — EP disclosed
US-20160296427-A1 SYSTEM AND METHOD FOR APPLYING ORAL CARE AGENTS KONINKLIJKE PHILIPS N.V. (NL) 2016-10-13 — — US disclosed
EP-3068367-A1 SYSTEM AND METHOD FOR APPLYING ORAL CARE AGENTS Koninklijke Philips N.V. (NL) 2016-09-21 — — EP disclosed
US-9345647-B2 Epoxy-containing dental composition curable by multiple polymerization mechanisms PENTRON CLINICAL TECHNOLOGIES, LLC (US) 2016-05-24 — — US disclosed
US-9296891-B2 Dental resin materials, method of manufacture, and uses thereof PENTRON CLINICAL TECHNOLOGIES, LLC (US) 2016-03-29 — — US disclosed
WO-2015071386-A1 SYSTEM AND METHOD FOR APPLYING ORAL CARE AGENTS KONINKLIJKE PHILIPS N.V. (NL) 2015-05-21 — — WO disclosed
WO-2014097053-A1 ENHANCED TOOTH WHITENING METHOD COMBINING SUSTAINED RELEASE VARNISH WITH LIGHT ACTIVATION KONINKLIJKE PHILIPS N.V. (NL) 2014-06-26 — — WO disclosed
WO-2013128328-A2 SYSTEM AND METHOD FOR WHITENING TEETH KONINKLIJKE PHILIPS N.V. (NL) 2013-09-06 — — WO disclosed
US-6787629-B2 POLYCARBONATE-MODIFIED DIPHENOXY DIACRYLATE; WEAR RESISTANCE PENTRON CLINICAL TECHNOLOGIES, LLC 2004-09-07 — — US disclosed
US-20040157973-A1 Golf balls comprising glass ionomers, ormocers, or other hybrid organic/inorganic compositions ACUSHNET COMPANY 2004-08-12 — — US disclosed
US-6767955-B2 APPLYING MIXTURE OF ADDITION POLYMER AND GLASS FILLER TO TEETH; CURING PENTRON CLINICAL TECHNOLOGIES 2004-07-27 — — US disclosed
US-20040086446-A1 Dental resin materials, method of manufacture, and uses thereof PENTRON CORPORATION 2004-05-06 — — US disclosed
US-20040044112-A1 Golf balls comprising glass ionomers, ormocers, or other hybrid organic/inorganic compositions ACUSHNET COMPANY 2004-03-04 — — US disclosed
US-20030212194-A1 Flowable dental resin materials and method of use thereof PENTRON CORPORATION 2003-11-13 — — US disclosed
US-20030125444-A1 Dental resin materials, method of manufacture, and uses thereof PENTRON CORPORATION 2003-07-03 — — US disclosed
US-6417246-B1 RESIN WITH FILLER AND SILICA JENERICA/PENTRON INCORPORATED 2002-07-09 — — US disclosed
US-20020045678-A1 Dental restorative compositions and method of use thereof JENERIC/PENTRON INCORPORATED 2002-04-18 — — US disclosed
WO-2002015848-A2 DENTAL RESTORATIVE COMPOSITIONS AND METHOD OF USE THEREOF JENERIC/PENTRON INCORPORATED (US) 2002-02-28 — — 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-11179299-B2 System and method for applying oral care agents OLA1, OTC, LPO CHRM1 3316/4885AKR1A1 3133/4885CHRM3 3430/4885
US-20160296427-A1 SYSTEM AND METHOD FOR APPLYING ORAL CARE AGENTS OLA1, OTC, LPO CHRM1 3316/4885AKR1A1 3133/4885CHRM3 3430/4885

“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.