SCHEMBL3058448

SCHEMBL3058448

O=C1C(=O)c2c(O)cccc2OC1=C1C=CC=CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.40
MAOA P21397 6/20 0.35
MAOB P27338 5/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPT P10636 5/20 0.34
TDP1 Q9NUW8 5/20 0.34
ALOX15 P16050 4/20 0.34
HSD17B10 Q99714 4/20 0.34
MEN1 O00255 4/20 0.34
CYP3A4 P08684 4/20 0.34
KMT2A Q03164 4/20 0.34
TSHR P16473 3/20 0.34
USP2 O75604 3/20 0.34
THRB P10828 2/20 0.34
HPN P05981 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PDE4A P27815 1/20 0.34
KDR P35968 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34

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
SCHEMBL12468576 0.84
SCHEMBL938279 0.78 XPO1 (0.37)
SCHEMBL3485829 0.78 PLK1 (0.31) PTGS1
SCHEMBL1950924 0.77 PKM (0.39) MAOAMAOBALDH1A1MAPTMEN1
SCHEMBL6424333 0.68 TYR (0.46) TYRMAOAMAOBALDH1A1MAPT
SCHEMBL6424546 0.67 TYR (0.44) TYRMAOAMAOBALDH1A1MAPT
SCHEMBL6421978 0.65 TYR (0.49) TYRMAOAMAOBALDH1A1MAPT
SCHEMBL14008639 0.65 TYR (0.51) TYRMAOAMAOBALDH1A1MAPT
SCHEMBL14008598 0.63 TYR (0.50) TYRMAOAMAOBALDH1A1MAPT
SCHEMBL8780706 0.63 PKM (0.39) MAOAMAOBALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020101601-A2 METHOD FOR PRODUCING CHEWING GUM USING PROPOLIS IN SOLID RESIN FORM PALABIYIK IBRAHIM (TR) 2020-05-22 WO disclosed
US-8487133-B2 Substituted bicyclo [4.1.0] heptane-7-carboxylic acid amides and derivatives thereof as food flavor substances SYMRISE AG (DE) 2013-07-16 US disclosed
US-20100189863-A1 SUBSTITUTED BICYCLO [4.1.0] HEPTANE-7-CARBOXYLIC ACID AMIDES AND DERIVATIVES THEREOF AS FOOD FLAVOR SUBSTANCES SYMRISE GMBH & CO.KG (DE) 2010-07-29 US disclosed
EP-2079322-A1 SUBSTITUTED BICYCLOÝ4.1.0¨HEPTANE-7-CARBOXYLIC ACID AMIDES AND DERIVATIVES THEREOF AS FOOD FLAVOR SUBSTANCES Symrise GmbH & Co. KG (DE) 2009-07-22 EP disclosed
WO-2008046895-A1 SUBSTITUTED BICYCLO[4.1.0]HEPTANE-7-CARBOXYLIC ACID AMIDES AND DERIVATIVES THEREOF AS FOOD FLAVOR SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2008-04-24 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-20100189863-A1 SUBSTITUTED BICYCLO [4.1.0] HEPTANE-7-CARBOXYLIC ACID AMIDES AND DERIVATIVES THEREOF AS FOOD FLAVOR SUBSTANCES HCAR3, TAS2R1, HCAR1 TYR 645/4885MAOA 3177/4885MAOB 3124/4885

“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.