SCHEMBL2857705

SCHEMBL2857705

Nc1ccccc1CCCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SIGMAR1 Q99720 2/20 0.41
FDPS P14324 1/20 0.39
ALOX15 P16050 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CA2 P00918 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6931597 0.98 CYP3A4 (0.44) CYP3A4MAPTKDM4EALDH1A1CYP1A2
SCHEMBL19429809 0.98 CYP3A4 (0.44) CYP3A4MAPTKDM4EALDH1A1CYP1A2
SCHEMBL29573041 0.93 ALDH1A1 (0.43) CYP3A4MAPTKDM4EALDH1A1CYP1A2
SCHEMBL723196 0.93 ALDH1A1 (0.43) CYP3A4MAPTKDM4EALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL9992854 0.91 CYP3A4 (0.42) CYP3A4MAPTKDM4EALDH1A1CYP1A2
SCHEMBL23159850 0.89 ALOX15 (0.47) CYP3A4MAPTALDH1A1SIGMAR1FDPS
SCHEMBL23159817 0.86 SIGMAR1 (0.46) CYP3A4MAPTALDH1A1SIGMAR1FDPS
Methyl Carbamate SCHEMBL28108898 0.85 CYP4A11 (0.43) CYP3A4MAPTKDM4EALDH1A1CYP1A2
Carbamic Acid SCHEMBL28108896 0.84 SIGMAR1 (0.41) CYP3A4MAPTKDM4EALDH1A1CYP1A2
SCHEMBL249418 0.84 TDP1 (0.44) CYP3A4MAPTKDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117126896-A Method for preparing (R) -beta-amino alcohol by racemization removal through biological enzyme method 中山大学 2023-11-28 CN claimed
CN-106458866-A Aminocarbonyl carbamate compound 爱思开生物制药株式会社 2017-02-22 CN claimed
EP-2244570-A2 IMPROVED CORROSION AND MICROBIAL CONTROL IN HYDROCARBONACEOUS COMPOSITIONS Dow Global Technologies Inc. (US) 2010-11-03 EP claimed
WO-2009085552-A2 IMPROVED CORROSION AND MICROBIAL CONTROL IN HYDROCARBONACEOUS COMPOSITIONS DOW GLOBAL TECHNOLOGIES INC. (US) 2009-07-09 WO claimed
EP-0621772-A1 HAIR FIXER. WELLA AG (DE) 1994-11-02 EP claimed
WO-1994012147-A1 HAIR FIXER WELLA AKTIENGESELLSCHAFT (DE) 1994-06-09 WO claimed
EP-0507896-A1 HAIR-FIXING AGENT. WELLA AG (DE) 1992-10-14 EP claimed
WO-1992007545-A1 HAIR-FIXING AGENT WELLA AKTIENGESELLSCHAFT (DE) 1992-05-14 WO claimed
CN-117165542-A Engineered beta-amino alcohol dehydrogenase and its use in chiral (R) -beta-amino alcohol preparation 中山大学 2023-12-05 CN disclosed
CN-117126896-A Method for preparing (R) -beta-amino alcohol by racemization removal through biological enzyme method 中山大学 2023-11-28 CN disclosed
US-20230257380-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI), INC. (CN) 2023-08-17 US disclosed
CN-106458866-A Aminocarbonyl carbamate compound 爱思开生物制药株式会社 2017-02-22 CN disclosed
US-20140212934-A1 BIOLOGICAL SYNTHESIS OF DIFUNCTIONAL HEXANES AND PENTANES FROM CARBOHYDRATE FEEDSTOCKS CELEXION, LLC (US) 2014-07-31 US disclosed
US-20140212934-A1 BIOLOGICAL SYNTHESIS OF DIFUNCTIONAL HEXANES AND PENTANES FROM CARBOHYDRATE FEEDSTOCKS CELEXION, LLC (US) 2014-07-31 US disclosed
US-6207360-B1 FIXING-OMITTED DEVELOPMENT PROCESSING, DESILVERING-OMITTED DEVELOPMENT PROCESSING OR BLEACHING-OMITTED DEVELOPMENT PROCESSING FUJI PHOTO FILM CO., LTD. (JP) 2001-03-27 US disclosed
US-5518844-A Method of processing a photosensitive material and photosensitive material processor FUJI PHOTO FILM CO., LTD. (JP) 1996-05-21 US disclosed
EP-0621772-A1 HAIR FIXER. WELLA AG (DE) 1994-11-02 EP disclosed
WO-1994012147-A1 HAIR FIXER WELLA AKTIENGESELLSCHAFT (DE) 1994-06-09 WO disclosed
CN-1017996-B IMINOOXAZOLIDINE HERBICIDE COMPOSITION STAUFFER CHEMICAL CO (US) 1992-08-26 CN disclosed
CN-87107006-A Imino- azoles alkane and preparation method and using method 1988-06-29 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 (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-20230257380-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE MUSK, ERBB2, NTRK1 CYP3A4 4645/4885MAPT 650/4885KDM4E 3125/4885

“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.