SCHEMBL873828

SCHEMBL873828

C#CCCCCC.COC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PTPN7 P35236 5/20 0.42
HMGCR P04035 2/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 3/20 0.40
RECQL P46063 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
ALOX12 P18054 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL874694 0.98 HSD17B10 (0.50) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28102327 0.98 HSD17B10 (0.50) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
Bicarbonate SCHEMBL29452854 0.87 MAPT (0.54) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
Bicarbonate SCHEMBL9183551 0.85 HSD17B10 (0.58) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
Acetic Acid SCHEMBL28094401 0.85 ALDH1A1 (0.53) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
Bicarbonate SCHEMBL31218603 0.85 HSD17B10 (0.58) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL872740 0.84 MAPT (0.44) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
Malonic Acid SCHEMBL30913847 0.83 HSD17B10 (0.57) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
Oxalic Acid SCHEMBL30913846 0.83 HSD17B10 (0.56) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL874063 0.82 MAPT (0.47) MAPTCYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969027-B1 COMPOSITIONS OF ALKYLAMIDOTHIAZOLES AND FRAGRANCES BEIERSDORF AG (DE) 2020-10-14 EP claimed
CN-115103719-B Encapsulated fragrance based on natural amino acids 西姆莱斯股份公司 2024-12-06 CN disclosed
CN-113766969-B Method for preparing microcapsules 西姆莱斯股份公司 2024-05-14 CN disclosed
CN-111315352-B Oral composition 狮王株式会社 2023-12-26 CN disclosed
CN-116322327-A Method for preparing microcapsules 西姆莱斯股份公司 2023-06-23 CN disclosed
CN-115103719-A Encapsulated fragrance based on natural amino acids 西姆莱斯股份公司 2022-09-23 CN disclosed
CN-113015781-B Detergent composition 联合利华知识产权控股有限公司 2022-09-13 CN disclosed
CN-110179172-B Consumable for an aerosol-generating device 菲利普莫里斯生产公司 2022-06-24 CN disclosed
EP-3985087-A1 FLAVOR COMPOSITION Takasago International Corporation (JP) 2022-04-20 EP disclosed
CN-114008184-A Detergent composition 联合利华知识产权控股有限公司 2022-02-01 CN disclosed
US-20090087401-A1 DEODORANT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-04-02 US disclosed
US-7452555-B2 Cocrystallization S.S.C.I., INC. (US) 2008-11-18 US disclosed
US-20080207476-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-28 US disclosed
US-20070287194-A1 Screening For Solid Forms By Ultrasound Crystallization And Cocrystallization Using Ultrasound S.S.C.I., INC 2007-12-13 US disclosed
US-20070088508-A1 Cocrystallization methods APTUIT (WEST LAFAYETTE), LLC 2007-04-19 US disclosed
WO-2007038524-A2 COCRYSTALLIZATION METHODS SSCI, INC. (US) 2007-04-05 WO disclosed
US-20060165622-A1 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-07-27 US disclosed
EP-1561476-A1 DEODORANT COMPOSITION Takasago International Corporation (JP) 2005-08-10 EP disclosed
US-5180710-A ETHYL (2E,4Z,7Z)-2,4,7-DECATRIENOATE AND ITS USE AS A PERFUMING OR FLAVORING INGREDIENT FIRMENICH S.A. (CH) 1993-01-19 US disclosed
US-3969259-A 2,4,4'-TRICHLORO-2'-HYDROXY DIPHENYL ETHER LEVER BROTHERS COMPANY (US) 1976-07-13 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-20080207476-A1 PARTICLES CONTAINING PERFUME HAVING IMPROVED FRAGRANCE PROPERTIES DSC1, DSG1, PIEZO1 MAPT 1508/4885CYP1A2 2756/4885CYP2D6 4188/4885

“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.