SCHEMBL1012849

SCHEMBL1012849

COc1ccccc1CC(CO)CCOCCC(CO)Cc1ccccc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
LMNA P02545 2/20 0.41
AGTR1 P30556 1/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL1013496 0.80 MTNR1A (0.42) LMNACYP1A2SMN1; SMN2NPSR1ALDH1A1
SCHEMBL748982 0.75 LMNA (0.50) IDO1TAAR1LMNAAGTR1CYP1A2
SCHEMBL7506353 0.75 LMNA (0.59) IDO1TAAR1LMNAAGTR1CYP1A2
SCHEMBL18505011 0.75 LMNA (0.50) IDO1TAAR1LMNAAGTR1CYP1A2
SCHEMBL765677 0.75 LMNA (0.50) IDO1TAAR1LMNAAGTR1CYP1A2
SCHEMBL7506347 0.75 LMNA (0.59) IDO1TAAR1LMNAAGTR1CYP1A2
SCHEMBL5696521 0.73 IDO1 (0.50) IDO1TAAR1LMNAAGTR1CYP1A2
Hydrochloric Acid SCHEMBL10411195 0.72 IDO1 (0.51) IDO1TAAR1LMNAAGTR1CYP1A2
SCHEMBL9480536 0.72 IDO1 (0.52) IDO1TAAR1LMNAAGTR1CYP1A2
SCHEMBL28334930 0.72 IDO1 (0.52) IDO1TAAR1LMNAAGTR1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517880-B1 PRODUCTION OF CIS-PELLITORIN AND USE AS A FLAVOURING SYMRISE AG (DE) 2011-01-05 EP claimed
US-11937622-B2 Obtaining a volatile fraction from juices or alcoholic beverages SYMRISE AG (DE) 2024-03-26 US disclosed
US-20220117271-A1 OBTAINING A VOLATILE FRACTION FROM JUICES OR ALCOHOLIC BEVERAGES SYMRISE AG (DE) 2022-04-21 US disclosed
EP-3836799-A1 OBTAINING A VOLATILE FRACTION FROM JUICES OR ALCOHOLIC BEVERAGES Symrise AG (DE) 2021-06-23 EP disclosed
WO-2020035147-A1 OBTAINING A VOLATILE FRACTION FROM JUICES OR ALCOHOLIC BEVERAGES SYMRISE AG (DE) 2020-02-20 WO disclosed
US-9987217-B2 Blackberry extract SYMRISE AG (DE) 2018-06-05 US disclosed
US-20160067170-A1 ORAL AND DENTAL HYGIENE AND CLEANING AGENTS WITH IMPROVED ANTI-BACTERIAL ACTION HENKEL AG & CO. KGAA (DE) 2016-03-10 US disclosed
US-20160067169-A1 TOOTHPASTE CONTAINING FLUORIDE AND POLYLACTIC ACID PARTICLES HENKEL AG & CO. KGAA (DE) 2016-03-10 US disclosed
US-20160067168-A1 ORAL AND DENTAL HYGIENE AND CLEANING AGENTS FOR SENSITIVE TEETH HENKEL AG & CO. KGAA (DE) 2016-03-10 US disclosed
US-8496950-B2 Mixture containing menthol SYMRISE AG (DE) 2013-07-30 US disclosed
US-20080063610-A1 Use of Beta-Homocyclocitral as an Agent Against Bad Breath SYMRISE GMBH & CO. KG (DE) 2008-03-13 US disclosed
US-20080008660-A1 Antimicrobially active compounds for treating bad breath SYMRISE GMBH & CO. KG (DE) 2008-01-10 US disclosed
EP-1793795-A1 USE OF BETA-HOMOCYCLOCITRAL AS AN AGENT AGAINST BAD BREATH Symrise GmbH & Co. KG (DE) 2007-06-13 EP disclosed
EP-1761271-A1 BLACKBERRY EXTRACT Symrise GmbH & Co. KG (DE) 2007-03-14 EP disclosed
WO-2006032664-A1 USE OF ISOEUGENOL METHYL ETHER AS AN AGENT AGAINST BAD BREATH SYMRISE GMBH & CO. KG (DE) 2006-03-30 WO disclosed
WO-2006032667-A1 USE OF BETA-HOMOCYCLOCITRAL AS AN AGENT AGAINST BAD BREATH SYMRISE GMBH & CO. KG (DE) 2006-03-30 WO disclosed
WO-2005123101-A1 BLACKBERRY EXTRACT SYMRISE GMBH & CO. KG (DE) 2005-12-29 WO disclosed
US-20050244561-A1 Carvone acetals used as flavourings SYMRISE GMBH & CO. KG (DE) 2005-11-03 US disclosed
US-20050234132-A1 Production of cis-pellitorin and use as a flavouring SYMRISE AG (DE) 2005-10-20 US disclosed
US-20050208084-A1 Use of alkylamidomandelates as flavourings SYMRISE GMBH & CO. KG (DE) 2005-09-22 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 (7 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-20160067170-A1 ORAL AND DENTAL HYGIENE AND CLEANING AGENTS WITH IMPROVED ANTI-BACTERIAL ACTION USP39, USP30, SOD1 IDO1 4144/4885TAAR1 3902/4885LMNA 3186/4885
US-20050234132-A1 Production of cis-pellitorin and use as a flavouring NISCH, CYP8B1, DLAT IDO1 334/4885TAAR1 4520/4885LMNA 2982/4885
US-20160067168-A1 ORAL AND DENTAL HYGIENE AND CLEANING AGENTS FOR SENSITIVE TEETH SI, H1-0, POLD1 IDO1 1601/4885TAAR1 2925/4885LMNA 2565/4885
US-20050208084-A1 Use of alkylamidomandelates as flavourings HNMT, TAS2R7, PNMT IDO1 1606/4885TAAR1 306/4885LMNA 3537/4885
US-20160067169-A1 TOOTHPASTE CONTAINING FLUORIDE AND POLYLACTIC ACID PARTICLES PUF60, POLI, FIP1L1 IDO1 4837/4885TAAR1 2399/4885LMNA 2729/4885
US-20080063610-A1 Use of Beta-Homocyclocitral as an Agent Against Bad Breath BAD, BAX, BAK1 IDO1 3693/4885TAAR1 1238/4885LMNA 3513/4885
US-20080008660-A1 Antimicrobially active compounds for treating bad breath CAT, LPO, GPX1 IDO1 821/4885TAAR1 2585/4885LMNA 4240/4885

“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.