SCHEMBL1829926

SCHEMBL1829926

CC(C)CCc1cnccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TLR7 Q9NYK1 1/20 0.36
SYK P43405 1/20 0.35
XDH P47989 1/20 0.35
TXNRD1 Q16881 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HSP90AA1 P07900 1/20 0.33
CYP2D6 P10635 1/20 0.33
HRH1 P35367 1/20 0.33
LMNA P02545 1/20 0.33
VNN1 O95497 1/20 0.33
PSMB5 P28074 1/20 0.33
PDCD1 Q15116 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
SCHEMBL15798754 0.88 ALDH1A1 (0.36) ALDH1A1KDM4ESMN1; SMN2TLR7XDH
SCHEMBL18858529 0.80 NOS3 (0.44) NOS3NOS1NOS2TLR7SYK
SCHEMBL28996404 0.79 HSP90AA1 (0.33) ALDH1A1KDM4ESMN1; SMN2XDHTXNRD1
SCHEMBL29401404 0.79 KDM4E (0.38) ALDH1A1KDM4ESMN1; SMN2XDHTXNRD1
SCHEMBL8525645 0.79 HSP90AA1 (0.38) ALDH1A1KDM4ESMN1; SMN2XDHTXNRD1
SCHEMBL510583 0.78 KDM4E (0.40) ALDH1A1NOS3NOS1NOS2KDM4E
SCHEMBL29364563 0.78 KDM4E (0.40) ALDH1A1NOS3NOS1NOS2KDM4E
SCHEMBL3420004 0.76 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2HRH4PSMB5
SCHEMBL18858531 0.76 NOS3 (0.46) NOS3NOS1NOS2TLR7SYK
SCHEMBL309452 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260096585-A1 ORAL COMPOSITION KAO CORPORATION (JP) 2026-04-09 US claimed
EP-4591720-A1 ORAL COMPOSITION Kao Corporation (JP) 2025-07-30 EP claimed
CN-118374372-A Saccharomyces cerevisiae capable of producing various pyrazines and application thereof 北京工商大学 2024-07-23 CN claimed
WO-2024063038-A1 ORAL COMPOSITION 花王株式会社 2024-03-28 WO claimed
CN-115747085-B Yeast Kazakhstan yeast for producing various pyrazines and application thereof 北京工商大学 2023-12-19 CN claimed
CN-115747085-A Saccharomycetes kazakhstan yeast for producing various pyrazines and application thereof 北京工商大学 2023-03-07 CN claimed
US-10499684-B2 Tobacco-derived flavorants R.J. REYNOLDS TOBACCO COMPANY (US) 2019-12-10 US claimed
US-20170215472-A1 TOBACCO-DERIVED FLAVORANTS R.J. REYNOLDS TOBACCO COMPANY 2017-08-03 US claimed
WO-2017130161-A1 TOBACCO-DERIVED FLAVORANTS R. J. REYNOLDS TOBACCO COMPANY (US) 2017-08-03 WO claimed
US-20260096585-A1 ORAL COMPOSITION KAO CORPORATION (JP) 2026-04-09 US disclosed
EP-4591720-A1 ORAL COMPOSITION Kao Corporation (JP) 2025-07-30 EP disclosed
CN-119837245-A Thin-shell polypeptide-basil natural flavoring base material and preparation method and application thereof 化学与精细化工广东省实验室潮州分中心 2025-04-18 CN disclosed
CN-118374372-A Saccharomyces cerevisiae capable of producing various pyrazines and application thereof 北京工商大学 2024-07-23 CN disclosed
JP-2024086783-A ORAL COMPOSITION 花王株式会社 2024-06-28 JP disclosed
WO-2004071194-A2 ENHANCING THE FRAGRANCE OF AN ARTICLE UNIVERSITY OF FLORIDA (US) 2004-08-26 WO disclosed
WO-2003091388-A2 POLYMORPHIC OLFACTORY RECEPTOR GENES AND ARRAYS, KITS AND METHODS UTILIZING THEM YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2003-11-06 WO disclosed
US-20020168692-A1 Biosensor detector array IMPERIAL COLLEGE INNOVATIONS (GB) 2002-11-14 US disclosed
EP-1206942-A1 WATER CHANNEL OPENER COMPOSITIONS AND MEDICINAL COMPOSITIONS FOR OPHTHALMIC USE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP disclosed
US-6325860-B1 HEATING MIXTURE INCLUDING HYDROXYKETONE, ALDEHYDE AND AMMONIUM HYDROXIDE FOR TIME AND UNDER CONDITIONS SUFFICIENT TO PROVIDE FLAVORFUL AND AROMATIC COMPOSITION R. J. REYNOLDS TOBACCO COMPANY 2001-12-04 US disclosed
US-5041296-A Microwave cooking of mixture of phenylalanine, leucine, a sugar and glycerine INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1991-08-20 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 (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-20260096585-A1 ORAL COMPOSITION TAS2R5, TAS2R16, TAS2R45 ALDH1A1 1280/4885NOS3 3580/4885NOS1 4283/4885

“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.