SCHEMBL294405

SCHEMBL294405

CCCc1nccnc1C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
NOS2 P35228 1/20 0.36
CYP2D6 P10635 1/20 0.33
HRH1 P35367 1/20 0.33
HSP90AA1 P07900 1/20 0.32
PDE10A Q9Y233 1/20 0.31
NAAA Q02083 1/20 0.31
GLP1R P43220 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL31168157 1.00 PDE3B (0.38) PDE3BPDE3ANOS2CYP2D6HRH1
SCHEMBL10836044 0.87 CYP2D6 (0.35) CYP2D6HRH1
SCHEMBL293872 0.86 HRH3 (0.36) NOS2CYP2D6NAAAPOLB
SCHEMBL293479 0.84 TDP1 (0.41) CYP2D6KDM4EPOLB
SCHEMBL30665021 0.84 TDP1 (0.41) CYP2D6KDM4EPOLB
SCHEMBL9797792 0.84 PDE3B (0.42) PDE3BPDE3ANOS2HSP90AA1GLP1R
SCHEMBL10496018 0.82 TDP1 (0.40) KDM4E
SCHEMBL108460 0.79
SCHEMBL29512257 0.79
SCHEMBL28848189 0.79 GABRP (0.33) NOS2CYP2D6NAAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118130691-A Method for detecting characteristic components of typical aroma in main stream smoke of cigarettes 上海烟草集团有限责任公司 2024-06-04 CN claimed
CN-117529238-A Flavoring composition for taste improvement 西姆莱斯有限公司 2024-02-06 CN claimed
CN-116685575-A Novel cooling substances and formulations containing these cooling substances 西姆莱斯股份公司 2023-09-01 CN claimed
US-11365370-B2 Fragrance compositions THE PROCTER & GAMBLE COMPANY (US) 2022-06-21 US claimed
US-10920176-B2 Transparent liquids, in particular fabric treatment agents, comprising perfume and microcapsules with an odor modulator compound HENKEL AG & CO. KGAA (DE) 2021-02-16 US claimed
EP-3350297-A1 TRANSPARENT LIQUIDS, IN PARTICULAR FABRIC TREATMENT AGENTS, CONTAINING PERFUME AND MICROCAPSULES WITH AN ODOR MODULATOR COMPOUND Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
EP-3350296-A1 PERFUME COMPOSITION COMPRISING AN ODOR MODULATOR COMPOUND, AMINO ALCOHOL AND ODORIFEROUS ALDEHYDE AND/OR ODORIFEROUS KETONE FOR INCREASING AND PROLONGING ODOR INTENSITY Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
EP-3350295-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
EP-3349861-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND SILICIC ACID ESTERS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
US-20180201883-A1 TRANSPARENT LIQUIDS, IN PARTICULAR FABRIC TREATMENT AGENTS, COMPRISING PERFUME AND MICROCAPSULES WITH AN ODOR MODULATOR COMPOUND HENKEL AG & CO. KGAA (DE) 2018-07-19 US claimed
US-20140170101-A1 Antiperspirant and Deodorant Compositions THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 US claimed
US-20140170194-A1 FRAGRANCE MATERIALS 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
EP-2385098-B1 Method for manufacturing an aroma concentrate and aroma concentrate SYMRISE AG (DE) 2013-09-11 EP claimed
EP-2075321-B1 Method for manufacturing an aroma concentrate and aroma concentrate SYMRISE AG (DE) 2011-08-03 EP claimed
US-7316826-B2 Coffee aroma with improved stability SYMRISE GMBH & CO. KG (DE) 2008-01-08 US claimed
US-20040202767-A1 Coffee aroma with improved stability SYMRISE AG (DE) 2004-10-14 US claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO 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 PDE3B 655/4885PDE3A 372/4885NOS2 19/4885
US-10920176-B2 Transparent liquids, in particular fabric treatment agents, comprising perfume and microcapsules with an odor modulator compound NEFM, TRPA1, ALOX5 PDE3B 104/4885PDE3A 101/4885NOS2 1004/4885

“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.