SCHEMBL20959565

SCHEMBL20959565

N#CC=C(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 8/20 0.50
CES1 P23141 7/20 0.50
ALDH1A1 P00352 6/20 0.46
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 2/20 0.42
ATM Q13315 1/20 0.42
AKR1C1 Q04828 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41

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
SCHEMBL2349040 0.90 CES2 (0.44) CES2CES1ALDH1A1MAPTLMNA
SCHEMBL7896358 0.86 RAB9A (0.63) ALDH1A1MAPTLMNAMAPK1RAB9A
SCHEMBL437088 0.86 AKR1C1 (0.53) CES2CES1ALDH1A1MAPTLMNA
SCHEMBL437087 0.86 AKR1C1 (0.53) CES2CES1ALDH1A1MAPTLMNA
SCHEMBL8461847 0.82 RECQL (0.45) CES2CES1ALDH1A1MAPTMAPK1
SCHEMBL6319759 0.82 CES2 (0.52) CES2CES1ALDH1A1MAPK1RAB9A
SCHEMBL7994145 0.81 CES2 (0.54) CES2CES1ALDH1A1MAPTLMNA
SCHEMBL1087911 0.77 RAB9A (0.43) ALDH1A1MAPTRAB9AKMT2AATM
SCHEMBL6744134 0.74 PDE4A (0.44) ALDH1A1KMT2AKDM4EPKMATM
SCHEMBL11275265 0.74 ALDH1A1 (0.50) ALDH1A1MAPTLMNARAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986090-A Novel fragrances with rose scent 西姆莱斯股份公司 2024-05-07 CN disclosed
CN-113840540-B Perfume or flavour mixture 西姆莱斯股份公司 2024-04-30 CN disclosed
CN-112469685-B Novel fragrances with rose scent 西姆莱斯股份公司 2024-01-02 CN disclosed
CN-115427388-A Novel esters as fragrance compounds 西姆莱斯有限公司 2022-12-02 CN disclosed
CN-109069378-B Perfume mixture containing ester and ketone 西姆莱斯股份公司 2022-10-11 CN disclosed
EP-3826986-A1 NOVEL ODORANTS HAVING ROSE ODOUR Symrise AG (DE) 2021-06-02 EP disclosed
US-10876067-B2 Fragrant mixtures containing esters and ketones SYMRISE AG (DE) 2020-12-29 US disclosed
EP-3723709-A1 PERFUME MIXTURES CONTAINING 8,8-DIMETHYL-6,10-DIOXASPIRO[4,5]DECANE Symrise AG (DE) 2020-10-21 EP disclosed
EP-3615147-A1 YARROW FRESH-PLANT PRESSED JUICE CONCENTRATE, PRODUCTION, AND USE Symrise AG (DE) 2020-03-04 EP disclosed
EP-3612620-A1 4-ETHYL-OCTENE-2/3-NITRILE AS A FRAGRANCE Symrise AG (DE) 2020-02-26 EP disclosed
EP-3601510-A1 2,3,6-TRIMETHYLCYCLOHEXANOL AS A SCENTING AND/OR FLAVORING AGENT Symrise AG (DE) 2020-02-05 EP disclosed
EP-3601509-A1 FRAGRANCE MIXTURES CONTAINING TRICYCLO[5.2.1.0]-DECANE-8-ETHYL ETHER Symrise AG (DE) 2020-02-05 EP disclosed
WO-2020020434-A1 NOVEL ODORANTS HAVING ROSE ODOUR SYMRISE AG (DE) 2020-01-30 WO disclosed
CN-110573141-A Concentrate of freshly squeezed plant juice of milfoil, its production and use 西姆莱斯有限公司 2019-12-13 CN disclosed
US-20190136148-A1 FRAGRANT MIXTURES CONTAINING ESTERS AND KETONES SYMRISE AG (DE) 2019-05-09 US disclosed
CN-109069378-A spice mixture containing ester and ketone 西姆莱斯股份公司 2018-12-21 CN disclosed
CN-102618258-A Fluorescent nanoparticle as well as preparation method and application thereof CHANGZHOU TRINA SOLAR ENERGY 2012-08-01 CN 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-10876067-B2 Fragrant mixtures containing esters and ketones FASN, CETP, FAM120A CES2 266/4885CES1 135/4885ALDH1A1 524/4885
US-20190136148-A1 FRAGRANT MIXTURES CONTAINING ESTERS AND KETONES FASN, CETP, FAM120A CES2 257/4885CES1 163/4885ALDH1A1 651/4885

“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.