SCHEMBL16774656

SCHEMBL16774656

C[CH]C(CCO)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.48
LMNA P02545 1/20 0.39
RIPK1 Q13546 1/20 0.37
HRH1 P35367 5/20 0.36
HTR2A P28223 4/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
HSD11B1 P28845 1/20 0.35
TAAR1 Q96RJ0 2/20 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
SCHEMBL233437 0.81 AOC3 (0.43) TRPA1LMNARIPK1HRH1HTR2A
SCHEMBL27522096 0.79 HRH1 (0.56) RIPK1HRH1HTR2AALDH1A1TAAR1
SCHEMBL13513553 0.79 TRPA1 (0.44) TRPA1LMNAHRH1KDM4EALDH1A1
SCHEMBL5560718 0.79 TRPA1 (0.44) TRPA1LMNARIPK1HRH1KDM4E
SCHEMBL28609634 0.78 POLB (0.42) LMNAHRH1HTR2AKDM4EALDH1A1
SCHEMBL3432105 0.78 POLB (0.42) LMNAHRH1HTR2AKDM4EALDH1A1
SCHEMBL27522125 0.76 HRH1 (0.59) HRH1HTR2ATAAR1
SCHEMBL27529939 0.76 HTR2A (0.62) LMNAHRH1HTR2AKDM4EALDH1A1
SCHEMBL3144258 0.76 LMNA (0.48) TRPA1LMNAHRH1HTR2ATAAR1
SCHEMBL28607657 0.76 LMNA (0.48) TRPA1LMNAHRH1HTR2ATAAR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1891220-A Use of 2-amino-3-alkylpyrimidinone derivatives for producing medicaments SANOFI SYNTHELABO (FR) 2007-01-10 CN claimed
CN-1247567-C 2-amino-3-alkylpyrimidinone derivatives as GSK3 beta inhibitors SANOFI AVENTIS (FR) 2006-03-29 CN claimed
EP-3184112-B1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE FUJIFILM CORP (JP) 2020-12-23 EP disclosed
US-20170290929-A1 GRP78 TARGETED CONJUGATES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2017-10-12 US disclosed
EP-3184112-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-SS-D-ARABINOFURANOSYL)CYTOSINE Fujifilm Corporation (JP) 2017-06-28 EP disclosed
EP-2883866-A1 INTERMEDIATE FOR SYNTHESIS OF 1-(2-DEOXY-2-FLUORO-4-THIO-beta-D-ARABINOFURANOSYL) CYTOSINE, INTERMEDIATE FOR SYNTHESIS OF THIONUCLEOSIDE, AND METHODS FOR PRODUCING THESE INTERMEDIATES FUJIFILM Corporation (JP) 2015-06-17 EP disclosed
CN-1891220-A Use of 2-amino-3-alkylpyrimidinone derivatives for producing medicaments SANOFI SYNTHELABO (FR) 2007-01-10 CN disclosed
CN-1247567-C 2-amino-3-alkylpyrimidinone derivatives as GSK3 beta inhibitors SANOFI AVENTIS (FR) 2006-03-29 CN disclosed
CN-1419552-A 2-amino-3-alkylpyrimidinone derivatives as GSK3 beta inhibitors SANOFI SYNTHELABO (FR) 2003-05-21 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-20170290929-A1 GRP78 TARGETED CONJUGATES HSPA5, ERP44, PDIA5 TRPA1 4122/4885LMNA 2261/4885RIPK1 4147/4885

“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.