SCHEMBL20529698

SCHEMBL20529698

C[Si](C)(C)C#Cc1c(O)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.46
ERN1 O75460 1/20 0.43
POLB P06746 2/20 0.43
HSD17B10 Q99714 3/20 0.42
CYP1A2 P05177 2/20 0.42
USP2 O75604 1/20 0.42
PAK1 Q13153 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 5/20 0.40
MAPT P10636 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 3/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HPGD P15428 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2A6 P11509 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL30697250 1.00 PTPN22 (0.46) PTPN22ERN1POLBHSD17B10CYP1A2
SCHEMBL30391200 0.82 PTPN22 (0.42) PTPN22ERN1POLBHSD17B10CYP1A2
SCHEMBL28497134 0.80 PTPN22 (0.50) PTPN22ERN1POLBHSD17B10CYP1A2
SCHEMBL5014197 0.78 CYP1A2 (0.38) POLBHSD17B10CYP1A2CYP2C19KDM4E
SCHEMBL15274205 0.77 L3MBTL1 (0.43) HSD17B10CYP1A2KDM4EMAPTTDP1
SCHEMBL28797623 0.76 PTPN22 (0.46) PTPN22ERN1POLBHSD17B10CYP1A2
SCHEMBL15274207 0.76 L3MBTL1 (0.42) ERN1POLBHSD17B10CYP1A2KDM4E
SCHEMBL28624944 0.75 PTPN22 (0.48) PTPN22ERN1POLBHSD17B10CYP1A2
SCHEMBL1470735 0.75 ALDH1A1 (0.35) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL29690232 0.75 ALDH1A1 (0.35) HSD17B10CYP1A2CYP2C9CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114671816-B Preparation method of axial chiral aryl triazole compound 浙江大学 2023-11-17 CN disclosed
US-20230172911-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-06-08 US disclosed
US-11439623-B2 Method of modulating ribonucleotide reductase CASE WESTERN RESERVE UNIVERSITY (US) 2022-09-13 US disclosed
CN-114671816-A Preparation method of axial chiral aryl triazole compound 浙江大学 2022-06-28 CN disclosed
US-20210113533-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-04-22 US disclosed
WO-2018187479-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE CASE WESTERN RESERVE UNIVERSITY (US) 2018-10-11 WO 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 (3 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-20210113533-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE RRM2, RRM2B, RRM1 PTPN22 2586/4885ERN1 686/4885POLB 562/4885
US-11439623-B2 Method of modulating ribonucleotide reductase RRM2, RRM2B, RRM1 PTPN22 2586/4885ERN1 686/4885POLB 562/4885
US-20230172911-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE RRM2, RRM2B, RRM1 PTPN22 2586/4885ERN1 686/4885POLB 562/4885

“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.