SCHEMBL3507263

SCHEMBL3507263

CC(=O)Sc1cc(C)oc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
KDM4E B2RXH2 1/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
RAB9A P51151 4/20 0.36
ALOX5 P09917 2/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NQO1 P15559 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 5/20 0.33
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL10887365 0.75 MAPT (0.37) MAPTKDM4ERAB9AALOX5HPGD
SCHEMBL3504609 0.74 MAPT (0.38) MAPTKDM4ERAB9AALOX5HTT
SCHEMBL15385449 0.74 MAPT (0.38) MAPTKDM4ERAB9AALOX5HPGD
SCHEMBL5163702 0.72 NQO1 (0.38) MAPTKDM4ECA12CA1CA4
SCHEMBL3508454 0.72 NQO1 (0.38) MAPTKDM4ECA12CA1CA4
SCHEMBL4572610 0.70
SCHEMBL4572620 0.70 MAPT (0.37) MAPTKDM4ERAB9AALOX5HTT
SCHEMBL11621777 0.69
SCHEMBL31596220 0.67 CA12 (0.45) CA12CA1CA2CA4CA7
SCHEMBL8081851 0.67 CA12 (0.45) CA12CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP disclosed
CN-106999973-A System and method for discharging edible material 阿甘芳香和精细化工有限公司 2017-08-01 CN disclosed
US-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-11-14 US disclosed
US-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-11-14 US disclosed
WO-2012054527-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO disclosed
US-20100248390-A1 COMPOSITIONS AND METHODS FOR IDENTIFYING LIGANDS OF ODORANT RECEPTORS DUKE UNIVERSITY (US) 2010-09-30 US disclosed
US-4626599-A Dithioethers of 2-phenyl-2-alkenals and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-12-02 US disclosed
US-4623538-A CHEWING GUM, TOOTHPASTE, MEDICINAL PRODUCTS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-11-18 US disclosed
US-4571344-A Flavoring with dithioethers of 2-phenyl-2-alkenals INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-02-18 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 (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-20130303466-A1 Chemosensory Receptor Ligand-Based Therapies GPR119, TAS1R2, TAS2R1 MAPT 4181/4885KDM4E 4693/4885CA12 2120/4885

“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.