SCHEMBL21294950

SCHEMBL21294950

C=CC(OC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
RIPK1 Q13546 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 1/20 0.35
CASR P41180 1/20 0.35
HPGD P15428 2/20 0.35
ELANE P08246 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTT P42858 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
SCHEMBL2886386 0.85 CYP2C19 (0.43) MAPTL3MBTL1HCAR2LMNACYP2C19
SCHEMBL5837445 0.83 KMT2A (0.47) MAPTHCAR2LMNACYP2C19KMT2A
SCHEMBL21308979 0.81 ALDH1A1 (0.40) MAPTCYP2C19ELANEKDM4EALDH1A1
SCHEMBL29029202 0.81 ELANE (0.42) MAPTRIPK1L3MBTL1ATMHCAR2
SCHEMBL30549421 0.80 SMN1; SMN2 (0.46) MAPTL3MBTL1LMNAKMT2AHPGD
SCHEMBL2558349 0.78 ALDH1A1 (0.42) CTSSCTSKRIPK1L3MBTL1ATM
SCHEMBL61038 0.78 CYP3A4 (0.50) MAPTHCAR2LMNACYP2C19KMT2A
SCHEMBL372284 0.78 KDM4E (0.39) KMT2AKDM4EALDH1A1
SCHEMBL2886387 0.78 CYP2C19 (0.43) L3MBTL1HCAR2LMNACYP2C19KMT2A
SCHEMBL17987592 0.78 CYP2C19 (0.46) MAPTCTSSCTSKRIPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889599-B2 1,1-diborylalkyl-1-metal compounds, preparation method thereof, and their applications toward synthesis of 1,1-diboronate ester compounds POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2021-01-12 US disclosed
US-20190263837-A1 1,1-Diborylalkyl-1-Metal Compounds, Preparation Method Thereof, and Their Applications Toward Synthesis of 1,1-Diboronate Ester Compounds POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2019-08-29 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 (2 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-20190263837-A1 1,1-Diborylalkyl-1-Metal Compounds, Preparation Method Thereof, and Their Applications Toward Synthesis of 1,1-Diboronate Ester Compounds DBI, BCL3, ORAI3 MAPT 4120/4885CTSS 2323/4885CTSK 1526/4885
US-10889599-B2 1,1-diborylalkyl-1-metal compounds, preparation method thereof, and their applications toward synthesis of 1,1-diboronate ester compounds DBI, BCL3, ORAI3 MAPT 4120/4885CTSS 2323/4885CTSK 1526/4885

“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.