SCHEMBL510583

SCHEMBL510583

CC(C)Cc1cnccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSP90AA1 P07900 1/20 0.36
PSMB5 P28074 3/20 0.35
NLRP3 Q96P20 3/20 0.35
CYP1A2 P05177 2/20 0.35
LMNA P02545 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
DAO P14920 1/20 0.34
CCNA2 P20248 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
SCHEMBL29364563 1.00 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2HSP90AA1PSMB5
SCHEMBL4328460 0.83 HRH4 (0.41) KDM4EALDH1A1SMN1; SMN2HSP90AA1NLRP3
SCHEMBL18462726 0.83 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2HSP90AA1PSMB5
SCHEMBL9474835 0.83 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HSP90AA1PSMB5
SCHEMBL4685179 0.83 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2HSP90AA1PSMB5
SCHEMBL4324227 0.83 HRH4 (0.41) KDM4EALDH1A1SMN1; SMN2HSP90AA1NLRP3
SCHEMBL30638522 0.83 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HSP90AA1PSMB5
SCHEMBL20061662 0.83 ALDH1A1 (0.38) KDM4EALDH1A1SMN1; SMN2HSP90AA1PSMB5
SCHEMBL4630607 0.81 KDM4E (0.37) KDM4EALDH1A1SMN1; SMN2HSP90AA1PSMB5
SCHEMBL24967353 0.79 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2HSP90AA1PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4161291-B1 FLAVORING COMPOSITIONS FOR TASTE IMPROVEMENT SYMRISE AG (DE) 2023-11-01 EP claimed
US-11365370-B2 Fragrance compositions THE PROCTER & GAMBLE COMPANY (US) 2022-06-21 US claimed
US-10881107-B2 Antimicrobial compositions containing alkylpyrazines and their uses ROOMBIOTIC GMBH (AT) 2021-01-05 US claimed
EP-3334281-B1 ANTIMICROBIAL COMPOSITIONS CONTAINING ALKYLPYRAZINES AND THEIR USES ROOMBIOTIC GMBH (AT) 2020-10-07 EP claimed
CN-111621819-A Cyanide-free silver plating brightener and preparation method thereof 广州三孚新材料科技股份有限公司 2020-09-04 CN claimed
US-20200205410-A1 ANTIMICROBIAL COMPOSITIONS CONTAINING ALKYLPYRAZINES AND THEIR USES ROOMBIOTIC GMBH (AT) 2020-07-02 US claimed
CN-108440422-A The synthetic method of stable isotope labeling 2 methoxy 3 isobutyl pyrazine 上海化工研究院有限公司 2018-08-24 CN claimed
EP-3334281-A1 ANTIMICROBIAL COMPOSITIONS CONTAINING ALKYLPYRAZINES AND THEIR USES Roombiotic GmbH (AT) 2018-06-20 EP claimed
US-9949911-B2 Antiperspirant and deodorant compositions THE PROCTER & GAMBLE COMPANY (US) 2018-04-24 US claimed
US-20170312204-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS PROCTER & GAMBLE (US) 2017-11-02 US claimed
WO-2014093807-A1 FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 WO claimed
US-20140170101-A1 Antiperspirant and Deodorant Compositions THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 US claimed
WO-2014093819-A2 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 WO claimed
US-20140170194-A1 FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 US claimed
CN-103826468-A Scent composition for feed LIM SEUNG-WOOK 2014-05-28 CN claimed
CN-103695168-A Wild chrysanthemum cigarette essence XING NA 2014-04-02 CN claimed
WO-2014010791-A1 SCENT COMPOSITION FOR FEED LIM SEUNG WOOK (KR) 2014-01-16 WO claimed
CN-103497163-A Synthesis method of dimethyl isobutyl pyrazine PUCHENG YONGFANG FRAGRANCE TECHNOLOGY CO LTD 2014-01-08 CN claimed
CN-101056964-A Gas odorant GIVAUDAN SA (CH) 2007-10-17 CN claimed
EP-0076085-A1 Production of monoacylpyrazines PHILIP MORRIS INCORPORATED (US) 1983-04-06 EP claimed

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-20140170101-A1 Antiperspirant and Deodorant Compositions LPO, GPX4, DEK KDM4E 1936/4885ALDH1A1 876/4885SMN1; SMN2 4196/4885
US-20170312204-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS LPO, GPX4, DEK KDM4E 1936/4885ALDH1A1 876/4885SMN1; SMN2 4196/4885

“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.